SCHEMBL2175875

SCHEMBL2175875

COc1cccc(Nc2cc(N)nc(C3CCCCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.56
GALR1 P47211 4/20 0.56
ROCK1 Q13464 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 1/20 0.46
EGFR P00533 2/20 0.46
TP53 P04637 1/20 0.46
HTR2B P41595 1/20 0.45
PIK3CA P42336 1/20 0.44
PRKDC P78527 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ERBB3 P21860 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL2177922 0.86 RAB9A (0.51) GALR2GALR1MEN1KMT2AMAPT
SCHEMBL16649499 0.85 RAB9A (0.52) GALR2GALR1MEN1KMT2AMAPT
SCHEMBL20355108 0.78 MAPT (0.66) GALR2GALR1ROCK1MEN1KMT2A
SCHEMBL2175185 0.77 ROCK1 (0.53) ROCK1MEN1KMT2AMAPTMAPK1
SCHEMBL20551138 0.72 MAPT (0.64) GALR2GALR1MEN1KMT2AMAPT
SCHEMBL20551565 0.72 MAPT (0.60) GALR2GALR1MEN1KMT2AMAPT
SCHEMBL20355235 0.70 RAB9A (0.72) GALR2GALR1ROCK1MEN1KMT2A
SCHEMBL29609014 0.70 ROCK1 (0.67) GALR2GALR1ROCK1MEN1KMT2A
SCHEMBL28736338 0.70 ROCK1 (0.67) GALR2GALR1ROCK1MEN1KMT2A
SCHEMBL12488156 0.70 GALR2 (0.67) GALR2GALR1MEN1KMT2AMAPT

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 10 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 claimed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US claimed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US claimed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP claimed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO claimed
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 GALR2 4390/4885GALR1 3540/4885ROCK1 1658/4885

“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.