SCHEMBL7939160

SCHEMBL7939160

Cc1ccc2c(c1)CC=N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP1A2 P05177 3/20 0.33
HTR5A P47898 3/20 0.33
CYP2A6 P11509 2/20 0.33
ADRA2A P08913 1/20 0.33
METAP1 P53582 1/20 0.32
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL255506 0.83 HTR5A (0.34) CYP1A2HTR5ACYP2A6METAP1GAA
SCHEMBL7932158 0.79 ADRA2A (0.34) PDE3BPDE3ACYP1A2HTR5ACYP2A6
SCHEMBL7070526 0.74 TRPA1 (0.40) ADRA2AMETAP1NOS3NOS1NOS2
SCHEMBL27952697 0.74 HTR2A (0.36) PDE3BPDE3AHTR5AADRA2AMETAP1
SCHEMBL24595463 0.74 TRPA1 (0.36) CYP1A2CYP2A6GAASMN1; SMN2MAPT
SCHEMBL9924365 0.74 NPSR1 (0.51) GAASMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL9438349 0.73
SCHEMBL6935042 0.72 MAOA (0.38) PDE3BPDE3ACYP1A2METAP1SMN1; SMN2
SCHEMBL24891183 0.71 CYP1A2 (0.35) CYP1A2CYP2A6GAASMN1; SMN2MAPT
SCHEMBL18032673 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737357-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. 2023-08-22 US disclosed
US-20230255104-A1 Compound And Organic Light-Emitting Device Comprising Same LG CHEM, LTD. (KR) 2023-08-10 US disclosed
US-20230242543-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-11673893-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-13 US disclosed
US-20230144528-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-05-11 US disclosed
WO-2023068881-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES 주식회사 보로노이바이오 2023-04-27 WO disclosed
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2021-08-12 US disclosed
WO-2021120838-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 WO disclosed
CN-105732470-B The high efficiency preparation method of 3- fluoro-indole-2-carbonyl compound 暨南大学 2018-07-31 CN disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 WO disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11673893-B2 CDK inhibitors and their use as pharmaceuticals CDK6, CDK3, CDK9 PDE3B 2312/4885PDE3A 2189/4885CYP1A2 2671/4885
US-20230144528-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK3, CDK9 PDE3B 2312/4885PDE3A 2189/4885CYP1A2 2671/4885
US-11737357-B2 Compound and organic light-emitting device comprising same CRY1, CYP1B1, CYP1A1 PDE3B 3049/4885PDE3A 3408/4885CYP1A2 9/4885
US-20230255104-A1 Compound And Organic Light-Emitting Device Comprising Same ARL1, AR, ALG3 PDE3B 3573/4885PDE3A 3495/4885CYP1A2 49/4885
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT PDE3B 695/4885PDE3A 653/4885CYP1A2 1038/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PDE3B 1869/4885PDE3A 2353/4885CYP1A2 1714/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB PDE3B 7/4885PDE3A 11/4885CYP1A2 1537/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A PDE3B 1758/4885PDE3A 1085/4885CYP1A2 1924/4885
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, MAPK4 PDE3B 959/4885PDE3A 998/4885CYP1A2 2346/4885
US-20230242543-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK3, CDK9 PDE3B 2312/4885PDE3A 2189/4885CYP1A2 2671/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.