SCHEMBL3763238

SCHEMBL3763238

O=C(Nc1cnccc1-n1c(C(F)(F)F)nc2ccccc21)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATR Q13535 3/20 0.39
GSK3A P49840 4/20 0.38
GPR6 P46095 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 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
SCHEMBL2090600 0.81 RAB9A (0.45) MAPK1CYP2C9LMNA
SCHEMBL2093588 0.80 LMNA (0.43) MAPK1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL2091533 0.79 CRACR2A (0.46) MAPK1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL2091612 0.74 STIM1 (0.55) MAPK1CYP2C9TP53MEN1KMT2A
SCHEMBL27717245 0.72 RAB9A (0.54) CYP2C9LMNAMEN1KMT2A
SCHEMBL27717112 0.72 KDM4E (0.47) MAPK1LMNATP53KMT2A
SCHEMBL2096523 0.72 NPC1 (0.50) MAPK1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL27697216 0.71 RAB9A (0.47) LMNATP53MEN1KMT2A
SCHEMBL13815658 0.70 TRPV1 (0.49) MAPK1LMNATP53MEN1KMT2A
SCHEMBL27697212 0.70 MAPT (0.53) CYP2C9LMNATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed

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-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPK1 1620/4885CYP3A4 1068/4885CYP2C9 621/4885

“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.