SCHEMBL867191

SCHEMBL867191

Clc1nc2ncnn2cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAP4K4 O95819 2/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
GRK5 P34947 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL6998719 0.84 SMN1; SMN2 (0.38) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL361914 0.74 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL2968326 0.73 AKT1 (0.39) SRCALDH1A1KDM4ERAB9AMEN1
SCHEMBL8012335 0.73 MAP4K4 (0.55) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL362526 0.73 KMT2A (0.40) SRCALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL868418 0.72 TAAR1 (0.42) ALDH1A1KDM4ERAB9ANPC1MAPK1
SCHEMBL362977 0.71 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL3706282 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2967067 0.70 AKT1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL2968149 0.70 HPGD (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 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 (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-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR SRC 216/4885ALDH1A1 3182/4885KDM4E 3173/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS SRC 323/4885ALDH1A1 3442/4885KDM4E 3716/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR SRC 216/4885ALDH1A1 3182/4885KDM4E 3173/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB SRC 254/4885ALDH1A1 3392/4885KDM4E 1502/4885

“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.