SCHEMBL1816971

SCHEMBL1816971

Cc1ccccc1-n1nccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
MAPK14 Q16539 2/20 0.44
NR3C2 P08235 1/20 0.43
TSHR P16473 1/20 0.42
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
LMNA P02545 1/20 0.37
MGLL Q99685 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2723187 0.78 POLB (0.52) POLBKMT2AALDH1A1MAPTTSHR
SCHEMBL15428582 0.78 HSD17B10 (0.44) POLBHTTALDH1A1MAPTTSHR
SCHEMBL17861281 0.78 HTT (0.43) POLBKMT2AHTTALDH1A1MAPT
SCHEMBL5966747 0.77 ALDH1A1 (0.42) KMT2AHTTALDH1A1MAPTMAPK14
SCHEMBL15554813 0.77 ALDH1A1 (0.42) KMT2AHTTALDH1A1MAPTMAPK14
SCHEMBL23400530 0.77 NR3C2 (0.43) KMT2AHTTALDH1A1MAPTMAPK14
SCHEMBL28231118 0.77 ALDH1A1 (0.42) KMT2AHTTALDH1A1MAPTMAPK14
SCHEMBL10992734 0.77 POLB (0.55) POLBALDH1A1MAPK14NR3C2TSHR
SCHEMBL15428731 0.77 POLB (0.55) POLBALDH1A1MGLL
SCHEMBL544410 0.77 POLB (0.55) POLBKMT2AMAPK14NR3C2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
CN-110790763-A Process for preparing pyridobipyrimidine and pyridobipyrazole derivatives 烟台大学 2020-02-14 CN disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 CN disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
CN-102026985-B Quinazoline derivatives as RAF kinase modulators and methods and uses thereof 埃姆比特生物科学公司 2016-07-06 CN disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
CN-102395575-A p38 MAP kinase inhibitors RESPIVERT LTD 2012-03-28 CN disclosed
CN-102341384-A P38 map kinase inhibitors RESPIVERT LTD 2012-02-01 CN disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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 (4 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 POLB 2245/4885KMT2A 3761/4885HTT 2263/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 POLB 2697/4885KMT2A 1030/4885HTT 4391/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 POLB 2697/4885KMT2A 1030/4885HTT 4391/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT POLB 2263/4885KMT2A 3072/4885HTT 3044/4885

“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.