SCHEMBL10776

SCHEMBL10776

Clc1ccc2cc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.45
NUDT1 P36639 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.41
AHR P35869 3/20 0.40
CMA1 P23946 1/20 0.40
BRD4 O60885 1/20 0.39
PRKCI P41743 2/20 0.38
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
APP P05067 1/20 0.37
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
NR4A2 P43354 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 2/20 0.33
CDK8 P49336 1/20 0.33
CHEK1 O14757 1/20 0.32
PIK3CD O00329 1/20 0.32

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
Acetic Acid SCHEMBL27874093 0.87 HRH4 (0.38) AXLNUDT1SIRT2AHRCMA1
Formic Acid Methyl Ester SCHEMBL28109888 0.84 BRD4 (0.40) AXLNUDT1SIRT2AHRCMA1
Ethoxycarbonyl Group SCHEMBL27554378 0.79 BRD4 (0.34) AXLNUDT1BRD4ADORA2AADORA1
SCHEMBL1334813 0.76 AXL (0.45) AXLNUDT1BRD4APPADORA2A
SCHEMBL18306004 0.74 ADORA2A (0.65) AXLSIRT2PRKCIADORA2AADORA1
SCHEMBL589179 0.73 SIRT2 (0.52) SIRT2ADORA2AADORA1HRH4
SCHEMBL963531 0.71 AXL (0.45) AXLNUDT1AHRCMA1BRD4
SCHEMBL684703 0.71 AXL (0.45) AXLNUDT1AHRBRD4TNF
SCHEMBL4063067 0.71 AXL (0.45) AXLNUDT1AHRCMA1BRD4
SCHEMBL414134 0.71 MAPK1 (0.45) AXLNUDT1AHRBRD4PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-04-30 US disclosed
EP-4103559-B1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2026-03-04 EP disclosed
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof RECURSION PHARMACEUTICALS, INC. (US) 2026-02-03 US disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer ARTIOS PHARMA LIMITED (GB) 2025-07-15 US disclosed
US-12358875-B2 N-(phenyl)-indole-3-sulfonamide derivatives and related compounds as GPR17 modulators for treating CNS disorders such as multiple sclerosis UCB PHARMA GMBH (DE) 2025-07-15 US disclosed
US-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2025-07-10 US disclosed
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine INSILICO MEDICINE IP LIMITED (HK) 2025-05-08 US disclosed
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 WO disclosed
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 US disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
US-5977131-A Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1999-11-02 US disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 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 (8 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 AXL 1527/4885NUDT1 300/4885SIRT2 3206/4885
US-12358875-B2 N-(phenyl)-indole-3-sulfonamide derivatives and related compounds as GPR17 modulators for treating CNS disorders such as multiple sclerosis GPR27, GPR18, GPR17 AXL 1485/4885NUDT1 3938/4885SIRT2 659/4885
US-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GSS, G6PC1 AXL 2739/4885NUDT1 382/4885SIRT2 1453/4885
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine DPYD, TYMP, NUDT1 AXL 366/4885NUDT1 3/4885SIRT2 1439/4885
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B AXL 2829/4885NUDT1 4222/4885SIRT2 3723/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 AXL 1612/4885NUDT1 2183/4885SIRT2 1226/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 AXL 1089/4885NUDT1 1482/4885SIRT2 1588/4885
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer SDHA, DPYD, TP53 AXL 1468/4885NUDT1 95/4885SIRT2 297/4885

“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.