SCHEMBL2887832

SCHEMBL2887832

Nc1c(Cc2ccccc2)c(F)c(Nc2ccnc3[nH]ccc23)c(F)c1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
ROCK1 Q13464 2/20 0.39
CSF1R P07333 2/20 0.39
AURKB Q96GD4 2/20 0.39
ACVR1 Q04771 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39

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
SCHEMBL2881088 0.91 JAK2 (0.39) JAK2ROCK1CSF1RAURKBACVR1
SCHEMBL2882376 0.79 ROCK2 (0.35) JAK2ROCK1CSF1RAURKBDAPK3
SCHEMBL8271551 0.72 CYP2D6 (0.41) JAK2ROCK1CSF1RAURKBACVR1
SCHEMBL2888202 0.71 ROCK1 (0.46) JAK2ROCK1CSF1RAURKBACVR1
SCHEMBL13593699 0.71 ROCK1 (0.49) JAK2ROCK1CSF1RACVR1DAPK3
SCHEMBL858031 0.70 TNNI3K (0.58) JAK2ROCK1CSF1RAURKBACVR1
SCHEMBL857193 0.69 PKM (0.56) JAK2ROCK1CSF1RAURKBACVR1
SCHEMBL14028650 0.66 ROCK1 (0.52) JAK2ROCK1CSF1RACVR1DAPK3
SCHEMBL2882283 0.66 CALM1 (0.46)
SCHEMBL2882671 0.65 TGFBR1 (0.45) JAK2ROCK1AURKBACVR1PRKD3

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
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
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP 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 JAK2 754/4885ROCK1 4628/4885CSF1R 4071/4885

“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.