SCHEMBL11940271

SCHEMBL11940271

Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccccc2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAP4K4 O95819 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
LMNA P02545 2/20 0.33
PDE10A Q9Y233 2/20 0.33
RXRA P19793 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL647141 0.89 TSHR (0.38) PTGS2MEN1KMT2AMAPK1ACSS2
SCHEMBL8234091 0.89 PDE10A (0.35) MEN1KMT2ALMNAPDE10ARXRA
SCHEMBL646764 0.86 ABL1 (0.42) PTGS2ACSS2RXRA
SCHEMBL646767 0.80 CYP2C19 (0.44) MEN1KMT2AMAPK1LMNACYP1A2
SCHEMBL647988 0.80 MAPT (0.38) MEN1KMT2AMAPK1ACSS2LMNA
SCHEMBL645748 0.79 MAPT (0.41) MEN1KMT2AMAPK1LMNACYP1A2
SCHEMBL647018 0.78 IL1B (0.38) MEN1KMT2AMAPK1LMNAPDE10A
SCHEMBL646734 0.78 MAPT (0.36) MEN1KMT2ALMNAPDE10ACYP1A2
SCHEMBL8228712 0.78 MEN1 (0.39) PTGS2MEN1KMT2A
SCHEMBL647040 0.77 KIF11 (0.41) RXRA

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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 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 (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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 PTGS2 1265/4885RXFP1 359/4885MAP4K4 2717/4885

“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.