SCHEMBL2889907

SCHEMBL2889907

CN(c1ccc(N)cc1F)c1ccnc2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.45
JAK3 P52333 4/20 0.45
JAK1 P23458 2/20 0.45
NUDT1 P36639 2/20 0.41
PRKCI P41743 3/20 0.38
AXL P30530 1/20 0.38
DAPK3 O43293 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
PAK4 O96013 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
IGF1R P08069 2/20 0.37
FGFR1 P11362 2/20 0.37
PRKACA P17612 2/20 0.37
FLT1 P17948 2/20 0.37
LTK P29376 2/20 0.37
GRK5 P34947 2/20 0.37
KDR P35968 2/20 0.37
MAP2K2 P36507 2/20 0.37

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
SCHEMBL2887565 0.80 JAK2 (0.41) JAK2JAK3JAK1NUDT1PRKCI
SCHEMBL2881826 0.80 JAK1 (0.50) JAK2JAK3JAK1NUDT1PRKCI
SCHEMBL2887522 0.78 ROCK2 (0.47) JAK2JAK3JAK1PRKCIAXL
SCHEMBL4416215 0.77 ROCK2 (0.65) AXLDAPK3CSF1RPRKACACDK8
SCHEMBL2086494 0.72 JAK2 (0.60) JAK2JAK3JAK1NUDT1PRKCI
SCHEMBL2882671 0.72 TGFBR1 (0.45) JAK2JAK1NUDT1PRKCIAXL
SCHEMBL31554522 0.71 ROCK2 (0.65) METROCK2TRPA1
SCHEMBL2879737 0.71 ROCK2 (0.65) METROCK2TRPA1
SCHEMBL2882589 0.71 ADRA2B (0.45) JAK2JAK3NUDT1PRKCIAXL
SCHEMBL857277 0.71 CHKA (0.54) JAK2JAK3JAK1NUDT1PRKCI

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 11 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
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
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
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
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 754/4885JAK3 1836/4885JAK1 1428/4885

“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.