SCHEMBL6900236

SCHEMBL6900236

CC(C)c1nc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
CYP11B2 P19099 1/20 0.41
PDE10A Q9Y233 8/20 0.39
PDE5A O76074 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE3A Q14432 2/20 0.37
MIF P14174 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BLM P54132 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
SCHEMBL11418285 0.81 JAK2 (0.46) JAK2JAK3CYP11B2PDE10AALDH1A1
SCHEMBL20653495 0.75 JAK2 (0.39) JAK2JAK3CYP11B2PDE10AKDM4E
SCHEMBL798669 0.74 AHR (0.33) ALDH1A1KDM4ENPC1NAMPT
SCHEMBL544142 0.74 JAK2 (0.50) JAK2JAK3CYP11B2PDE10AALDH1A1
SCHEMBL9108919 0.73 PIK3CG (0.35) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL17131652 0.73 JAK2 (0.58) JAK2JAK3CYP11B2PDE10AALDH1A1
SCHEMBL9109466 0.73 AHR (0.53) NAMPT
SCHEMBL18626423 0.73 HAVCR2 (0.39) PDE10APDE5AALDH1A1CYP1A2CYP2C9
SCHEMBL24983891 0.72 JAK2 (0.36) JAK2JAK3CYP11B2PDE10AKDM4E
SCHEMBL12091357 0.72 NAMPT (0.35) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T REMIX THERAPEUTICS INC. 2024-07-18 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE INCYTE CORPORATION 2023-12-14 US disclosed
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE INCYTE CORPORATION 2023-12-14 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-05-11 US disclosed
US-9458179-B2 Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 US disclosed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF SCHERING CORPORATION 2012-02-02 US disclosed
US-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF SCHERING CORPORATION 2012-02-02 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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 (12 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 JAK2 3285/4885JAK3 2296/4885CYP11B2 4392/4885
US-20230144095-A1 PYRIDINE DERIVATIVES AND THEIR USE AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN1B, CACNA1A JAK2 3336/4885JAK3 4239/4885CYP11B2 348/4885
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 JAK2 3549/4885JAK3 4560/4885CYP11B2 2159/4885
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS PDE3A, PDE3B, PDE5A JAK2 1030/4885JAK3 959/4885CYP11B2 152/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 JAK2 927/4885JAK3 2413/4885CYP11B2 4238/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 JAK2 3482/4885JAK3 3055/4885CYP11B2 2956/4885
US-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF PDE2A, PDE5A, PDE4A JAK2 2127/4885JAK3 2062/4885CYP11B2 69/4885
US-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE STING1, PDCD1LG2, CD274 JAK2 1891/4885JAK3 2720/4885CYP11B2 4662/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 JAK2 3153/4885JAK3 4312/4885CYP11B2 2366/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 JAK2 4461/4885JAK3 3618/4885CYP11B2 2421/4885
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T HNRNPAB, HNRNPC, HNRNPA1 JAK2 582/4885JAK3 828/4885CYP11B2 3406/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D JAK2 2718/4885JAK3 3023/4885CYP11B2 1380/4885

“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.