SCHEMBL3687969

SCHEMBL3687969

N#Cc1ccc2c(c1)OCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
PNMT P11086 1/20 0.44
RIPK1 Q13546 1/20 0.44
OGA O60502 3/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
KDM1A O60341 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAOB P27338 1/20 0.39
GSK3B P49841 1/20 0.38
GRM5 P41594 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37

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
SCHEMBL28324711 0.89 RIPK1 (0.42) DRD2DRD3PNMTRIPK1OGA
SCHEMBL3492241 0.85 PRKCI (0.47) DRD2DRD3PNMTPIK3CAPIK3CB
SCHEMBL4682311 0.81 GRM5 (0.41) RIPK1OGAMAOBGRM5CHRM2
SCHEMBL11022031 0.80 PNMT (0.43) DRD2DRD3PNMTRIPK1KDM1A
SCHEMBL20265984 0.79 PNMT (0.56) DRD2DRD3PNMTRIPK1CHRNB2
SCHEMBL943860 0.78 PKM (0.54) GSK3BPKMPKLR
Hydrochloric Acid SCHEMBL21800534 0.78 PNMT (0.54) DRD2DRD3PNMTRIPK1CHRNB2
SCHEMBL1090921 0.75 GRM5 (0.66) PIK3CAPIK3CBMAOBGRM5
SCHEMBL4599854 0.75 DYRK1A (0.54) GSK3BPKMPKLR
SCHEMBL1484823 0.75 PIK3CA (0.46) RIPK1OGAPIK3CAPIK3CBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200102-A1 MIXED LAYER, METHOD OF PREPARING THE MIXED LAYER, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 US disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 US disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 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 (3 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-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 DRD2 3937/4885DRD3 3281/4885PNMT 4213/4885
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 DRD2 1603/4885DRD3 1117/4885PNMT 1170/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 DRD2 3937/4885DRD3 3281/4885PNMT 4213/4885

“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.