SCHEMBL7897398

SCHEMBL7897398

Cc1nc(C)c(-c2ccc(N)cc2CO)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 5/20 0.33
HPGD P15428 2/20 0.33
SUV39H2 Q9H5I1 2/20 0.32
HSD17B10 Q99714 3/20 0.31
TP53 P04637 3/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PRKCI P41743 1/20 0.31
OPRM1 P35372 1/20 0.31
GAA P10253 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL7897519 0.77 KMT2A (0.42) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2625713 0.77 IMPDH2 (0.36) PRKCIACHE
SCHEMBL7891505 0.75 NOTUM (0.38) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16442393 0.75 IMPDH2 (0.48) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2625715 0.73 LRRK2 (0.45)
SCHEMBL1617773 0.69 ACHE (0.43) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3781954 0.68 CYP3A4 (0.42) ALDH1A1KDM4EMAPTHSD17B10TP53
SCHEMBL792457 0.66 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL7896443 0.66 ALDH1A1 (0.42) ALDH1A1MAPTSUV39H2PRKCI
SCHEMBL3790106 0.65 PTGDR2 (0.46) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A RAB9A 3011/4885ALDH1A1 1378/4885KDM4E 3338/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A RAB9A 3011/4885ALDH1A1 1378/4885KDM4E 3338/4885

“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.