SCHEMBL2177371

SCHEMBL2177371

COc1ccccc1Nc1cc(NCCO)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.54
MAPK10 P53779 1/20 0.53
GBA1 P04062 4/20 0.53
ERBB3 P21860 3/20 0.52
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
TNNI3K Q59H18 1/20 0.51
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
RAD52 P43351 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
AURKA O14965 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48

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
SCHEMBL2175076 0.78 EGFR (0.70) EGFRGBA1ERBB3TNNI3KHTT
SCHEMBL13321937 0.77 MAPK10 (0.61) EGFRMAPK10ERBB3CDK4CDK2
SCHEMBL3073595 0.76 CHRM2 (0.62) GBA1USP2TSHRHTTRAD52
SCHEMBL13300985 0.76 MAPK10 (0.60) EGFRMAPK10ERBB3CDK4CDK2
SCHEMBL14261766 0.76 MAPK10 (0.60) EGFRMAPK10ERBB3CDK4CDK2
SCHEMBL2175687 0.76 EGFR (0.57) EGFRERBB3NPC1ALDH1A1GAA
SCHEMBL2173971 0.76 EGFR (0.72) EGFRGBA1ERBB3CDK4TNNI3K
SCHEMBL2175110 0.76 MEN1 (0.72) EGFRGBA1ERBB3CDK4TNNI3K
SCHEMBL10358576 0.75 GBA1 (0.85) GBA1USP2TSHRHTTRAD52
SCHEMBL25389479 0.75 MAPK10 (0.55) EGFRMAPK10ERBB3CDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 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 (1 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-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 EGFR 4266/4885MAPK10 248/4885GBA1 4526/4885

“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.