SCHEMBL2882516

SCHEMBL2882516

O=[N+]([O-])c1ccnc2[nH]cc(Br)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
MAPK1 P28482 1/20 0.41
MET P08581 2/20 0.40
ERBB2 P04626 1/20 0.35
PTK6 Q13882 1/20 0.35
PRKCI P41743 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
JAK2 O60674 1/20 0.34
EGFR P00533 2/20 0.34
IKBKB O14920 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LRRK2 Q5S007 1/20 0.33
IGF1R P08069 1/20 0.33
GLA P06280 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL4582883 0.87 MET (0.40) AXLMAPK1METERBB2PTK6
SCHEMBL14158703 0.81 MET (0.40) METROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL29953624 0.78 KMT2A (0.46) METNPC1RAB9AALDH1A1LRRK2
SCHEMBL1036038 0.75 MAPK1 (0.52) AXLMAPK1PRKCIROCK2ROCK1
SCHEMBL858934 0.74 LRRK2 (0.50) AXLMAPK1METPRKCIROCK2
SCHEMBL3723388 0.74 MET (0.43) METJAK2RAB9AALDH1A1LRRK2
SCHEMBL3001376 0.74 CDK5 (0.59) ROCK2ROCK1CDC42BPACDC42BPBCLK1
SCHEMBL30464076 0.73 BCHE (0.36) EGFRRAB9AALDH1A1CYP19A1MAPT
SCHEMBL29008531 0.73 BCHE (0.36) EGFRRAB9AALDH1A1CYP19A1MAPT
SCHEMBL29955671 0.72 KMT2A (0.43) METNPC1RAB9AALDH1A1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 AXL 2013/4885MAPK1 2072/4885MET 3468/4885

“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.