SCHEMBL13570513

SCHEMBL13570513

COc1ccc(Nc2cc(NC34CC5CC(CC(C5)C3)C4)ncn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
EGFR P00533 6/20 0.48
ERBB3 P21860 6/20 0.48
EPHX2 P34913 1/20 0.47
TNNI3K Q59H18 1/20 0.46
CDK4 P11802 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 1/20 0.43
GALR2 O43603 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CREBBP Q92793 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL11900466 0.81 MEN1 (0.40) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL16587370 0.80 MEN1 (0.65) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12485614 0.75 MEN1 (0.87) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL27339283 0.75 MEN1 (0.74) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12482237 0.74 MEN1 (0.55) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL27323500 0.73 EGFR (0.38) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12482241 0.73 MEN1 (0.70) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL10187337 0.72 MEN1 (0.81) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12487939 0.72 MEN1 (0.68) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12486513 0.72 MEN1 (0.79) MEN1KMT2ARAB9ANPC1EGFR

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 8 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
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

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 MEN1 4740/4885KMT2A 2502/4885RAB9A 2086/4885

“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.