SCHEMBL8404380

SCHEMBL8404380

Cc1ccc2nc(C)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
ALDH1A1 P00352 3/20 0.48
NCK1 P16333 1/20 0.48
BACE1 P56817 1/20 0.48
CYP2A6 P11509 3/20 0.44
NQO2 P16083 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PSMB5 P28074 1/20 0.42
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
PDE2A O00408 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL14406010 0.84 PDGFRB (0.45) CYP1A2ALDH1A1BACE1MEN1KMT2A
SCHEMBL8404384 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1NCK1BACE1CYP2A6
SCHEMBL31155594 0.79 KDM4E (0.55) ALDH1A1NCK1BACE1CYP2A6MEN1
SCHEMBL3481303 0.79 KDM4E (0.55) ALDH1A1NCK1BACE1CYP2A6MEN1
SCHEMBL31731092 0.79 MAPT (0.43) CYP1A2ALDH1A1MEN1KMT2APDE3B
SCHEMBL31391518 0.79 BACE1 (0.46) CYP1A2BACE1CYP2A6KMT2APDE3B
SCHEMBL2632884 0.79 LCK (0.57) CYP1A2ALDH1A1NCK1BACE1CYP2A6
SCHEMBL14239550 0.79 CYP1A2 (0.48) CYP1A2ALDH1A1NCK1BACE1CYP2A6
SCHEMBL858595 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1NCK1BACE1CYP2A6
SCHEMBL4539180 0.79 NOS1 (0.37) CYP1A2CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593066-A A kind of antifol and its preparation and application for treating enterobacterial infection 上海交通大学 2019-04-09 CN claimed
EP-4393916-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-11744146-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
WO-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO disclosed
WO-2023097007-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
WO-2023091747-A1 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-07-05 US disclosed
CN-111995588-B Synthesis method of 6- (dibromomethyl) -2-methyl quinazoline-4 (3H) -ketone 宏冠生物药业有限公司 2022-04-22 CN disclosed
CN-111995588-B Synthesis method of 6- (dibromomethyl) -2-methyl quinazoline-4 (3H) -ketone 宏冠生物药业有限公司 2022-04-22 CN disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
WO-2008045945-A1 BENZINDOLE DERIVATIVES AND METHOD OF TREATING HIV/AIDS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-17 WO disclosed
US-7314580-B2 Compound, liquid-crystal composition and optical material FUJIFILM CORPORATION (JP) 2008-01-01 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (5 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CYP1A2 3344/4885ALDH1A1 1842/4885NCK1 443/4885
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MTOR, RICTOR, MAPKAP1 CYP1A2 667/4885ALDH1A1 3345/4885NCK1 2118/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CYP1A2 264/4885ALDH1A1 337/4885NCK1 1622/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 CYP1A2 193/4885ALDH1A1 296/4885NCK1 3774/4885
US-11744146-B2 Amine-based compound and organic light-emitting device including the same AOC2, AOC1, EML4 CYP1A2 456/4885ALDH1A1 76/4885NCK1 3793/4885

“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.