SCHEMBL6920441

SCHEMBL6920441

Cc1cn(-c2ccc(C(=O)NCc3sc4c(F)ccc(F)c4c3Cl)nc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.35
NR2E1 Q9Y466 6/20 0.35
WNT3A P56704 1/20 0.34
EP300 Q09472 1/20 0.34
MMP13 P45452 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
P2RX7 Q99572 1/20 0.33
NR3C1 P04150 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL11902358 0.84 PSEN1 (0.44)
SCHEMBL759702 0.78 PSEN1 (0.59)
SCHEMBL11902750 0.72 MAPK1 (0.42) WNT3AP2RX7
SCHEMBL1672664 0.71 WNT3A (0.40) NR2E1WNT3AMMP13P2RX7
SCHEMBL24369389 0.67 CYP2E1 (0.50) NR2E1WNT3AEP300MAOB
SCHEMBL22199019 0.61 CYP2E1 (0.56) NR2E1MAOB
SCHEMBL11901567 0.60 MAPK1 (0.43) P2RX7
SCHEMBL19272800 0.59 CYP1A2 (0.56) NR2E1EP300MAOB
SCHEMBL18754697 0.59 CYP3A4 (0.56) NR2E1MAOB
SCHEMBL11902390 0.58 MAPK1 (0.42) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP GPR142 1367/4885NR2E1 903/4885WNT3A 1164/4885

“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.