SCHEMBL4101836

SCHEMBL4101836

CN1CCN(CCCNc2nc(N)ncc2-c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 12/20 0.52
KDR P35968 4/20 0.52
DHFR P00374 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SRC P12931 5/20 0.44
EGFR P00533 2/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
AXL P30530 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4118866 0.92 DHFR (0.50) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4100252 0.90 IRAK4 (0.49) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL3978332 0.89 SMN1; SMN2 (0.59) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4082424 0.89 IRAK4 (0.48) KDRDHFRIRAK4SMN1; SMN2ADORA2A
SCHEMBL5653944 0.89 IRAK1 (0.45) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4107262 0.88 DHFR (0.50) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4107081 0.87 IRAK4 (0.60) KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4113403 0.87 KDR (0.48) FGFR1KDRDHFRIRAK4SMN1; SMN2
SCHEMBL4110664 0.86 FGFR1 (0.51) FGFR1KDRDHFRIRAK4
SCHEMBL4110576 0.86 DHFR (0.48) DHFRIRAK4SMN1; SMN2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US 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 (2 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH FGFR1 2177/4885KDR 2801/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH FGFR1 2177/4885KDR 2801/4885DHFR 1013/4885

“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.