SCHEMBL3759951

SCHEMBL3759951

[c]1ncccc1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
CYP19A1 P11511 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IKBKB O14920 2/20 0.37
ERN1 O75460 2/20 0.36
KDM1A O60341 1/20 0.36
CYP2A6 P11509 3/20 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
SCHEMBL4153124 0.79 APP (0.42) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL6832420 0.75 APP (0.42) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL467307 0.74 APP (0.47) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL4324936 0.73 APP (0.44) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL845603 0.73 APP (0.63) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL29732980 0.73 APP (0.63) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL6642970 0.70 RAB9A (0.51) APPCYP19A1
SCHEMBL2149612 0.69 APP (0.59) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL2581028 0.69 CYP19A1 (0.64) APPCYP19A1HSD17B1HSD17B2CA1
SCHEMBL15798416 0.69 APP (0.46) APPCYP19A1HSD17B1HSD17B2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573499-B 9, 9-Dicarbazole derivative, preparation method thereof and application thereof in luminescence 维思普新材料(苏州)有限公司 2024-05-10 CN disclosed
CN-117736218-A Spirocyclic carbonyl nitrogen compound, polymer, mixture and application thereof 苏州大学 2024-03-22 CN disclosed
CN-113233988-B Fluorene derivative and electronic device 苏州久显新材料有限公司 2023-05-02 CN disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-1539151-B1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2009-03-18 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-7498349-B2 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
EP-1539151-A4 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2006-10-11 EP disclosed
US-20060128747-A1 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS,INC. (US) 2006-06-15 US disclosed
EP-1539151-A1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY Genesoft Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004012736-A1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2004-02-12 WO disclosed
US-20030235632-A1 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, LLC (US) 2003-12-25 US 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-20030235632-A1 Anti-first-pass effect compounds ABCG2, FABP2, HDLBP APP 2904/4885CYP19A1 1431/4885HSD17B1 1328/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA APP 3011/4885CYP19A1 2478/4885HSD17B1 3274/4885
US-20060128747-A1 Biaryl compounds having anti-infective activity LSS, BET1, TYR APP 4607/4885CYP19A1 2286/4885HSD17B1 1862/4885

“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.