SCHEMBL6920595

SCHEMBL6920595

COc1nc(C(=O)NC(C)(C)c2cccc(Cl)c2)cnc1-n1cnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.42
USP36 Q9P275 1/20 0.40
CNR1 P21554 5/20 0.38
NR2E1 Q9Y466 1/20 0.38
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6919530 0.83 PSEN1 (0.41) CNR2NR2E1PSEN1PSEN2APH1B
SCHEMBL1673249 0.76 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672519 0.73 KDM4E (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919404 0.73 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901925 0.71 P2RX7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11916715 0.71 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902125 0.70 ADRB2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901871 0.70 P2RX7 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901978 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920278 0.70 ALDH1A1 (0.40) 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 CNR2 1193/4885USP36 980/4885CNR1 1004/4885

“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.