SCHEMBL401223

SCHEMBL401223

Nc1nccc2cc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.42
NOS2 P35228 3/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42
NOS1 P29475 1/20 0.42
BACE1 P56817 1/20 0.42
GRM5 P41594 2/20 0.40
AXL P30530 1/20 0.38
NUDT1 P36639 1/20 0.38
AHR P35869 1/20 0.38
REN P00797 1/20 0.36
PDPK1 O15530 1/20 0.36
TNF P01375 1/20 0.35
RIPK1 Q13546 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKCI P41743 1/20 0.35
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL9942590 0.76 AHR (0.43) BACE1GRM5AXLNUDT1AHR
SCHEMBL23233865 0.76 GRM5 (0.41) GRM5AXLNUDT1AHRPDPK1
SCHEMBL28266519 0.75 GRM5 (0.48) NOS3NOS2F12PLAUNCF1
SCHEMBL30678614 0.74 GRM5 (0.43) BACE1GRM5AXLNUDT1AHR
SCHEMBL30122523 0.74 DYRK1A (0.48) GRM5AXLNUDT1AHRPDPK1
SCHEMBL30781502 0.74 TNF (0.44) GRM5AXLNUDT1AHRPDPK1
SCHEMBL1154874 0.74 GRM5 (0.43) BACE1GRM5AXLNUDT1AHR
SCHEMBL762091 0.74 DYRK1A (0.48) GRM5AXLNUDT1AHRPDPK1
SCHEMBL2633337 0.74 GRM5 (0.43) GRM5AXLNUDT1AHRREN
SCHEMBL652414 0.74 GRM5 (0.40) GRM5AXLNUDT1AHRPDPK1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
WO-2021180107-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-09-16 WO disclosed
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2021-05-13 US disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
CN-105037721-A Application of active-hydrogen-containing heterocyclic compound to preparation of phthalonitrile resin UNIV SICHUAN 2015-11-11 CN disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
CN-1491941-A Heterobicyclic sulfonamide derivative and sulfonic ester derivative ������������ʽ���� 2004-04-28 CN disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
CN-1079097-C Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 2002-02-13 CN disclosed
US-5767283-A CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC EISAI CO., LTD. (JP) 1998-06-16 US disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 US disclosed
CN-1114506-A Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 1996-01-03 CN disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 EP 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 NOS3 2391/4885NOS2 2937/4885F12 23/4885
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CFTR, ABCB11, CEL NOS3 404/4885NOS2 693/4885F12 179/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 NOS3 3530/4885NOS2 4014/4885F12 35/4885

“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.