SCHEMBL6920439

SCHEMBL6920439

COc1nc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)ccc1-n1cnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PSEN1 P49768 9/20 0.41
PSEN2 P49810 9/20 0.41
APH1B Q8WW43 9/20 0.41
NCSTN Q92542 9/20 0.41
APH1A Q96BI3 9/20 0.41
PSENEN Q9NZ42 9/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
WDR5 P61964 9/20 0.41

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
SCHEMBL11903267 1.00 KMT2A (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL11902653 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672588 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757612 0.84 PSEN1 (0.57) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL11902500 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902029 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672966 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902246 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902281 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901913 0.77 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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-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
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 KMT2A 3212/4885PSEN1 7/4885PSEN2 8/4885

“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.