SCHEMBL963531

SCHEMBL963531

Oc1ccc2cc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.45
NUDT1 P36639 1/20 0.45
TYR P14679 1/20 0.40
RIPK1 Q13546 3/20 0.39
BRD4 O60885 1/20 0.39
APP P05067 1/20 0.37
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
RAD51 Q06609 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 4/20 0.34
CDK8 P49336 1/20 0.33
ENPP2 Q13822 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL30557259 0.98 AXL (0.43) AXLNUDT1TYRRIPK1BRD4
SCHEMBL588819 0.73 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL1334813 0.71 AXL (0.45) AXLNUDT1BRD4APPMAPK1
SCHEMBL4063067 0.71 AXL (0.45) AXLNUDT1TYRRIPK1BRD4
SCHEMBL29362558 0.71 MAPK1 (0.45) AXLNUDT1BRD4APPMAPK1
SCHEMBL343400 0.71 ADORA2A (0.57) AXLNUDT1BRD4APPMAPK1
SCHEMBL414134 0.71 MAPK1 (0.45) AXLNUDT1BRD4APPMAPK1
SCHEMBL684703 0.71 AXL (0.45) AXLNUDT1RIPK1BRD4APP
SCHEMBL12798351 0.71 AXL (0.45) AXLNUDT1TYRRIPK1BRD4
SCHEMBL29365560 0.71 AXL (0.45) AXLNUDT1RIPK1BRD4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP claimed
EP-3814360-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP claimed
EP-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-116621860-A Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-08-22 CN disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
CN-111511748-B Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-05-02 CN disclosed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
CN-101133056-A Antitumor compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2008-02-27 CN disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
US-20060183758-A1 Method for synthesis of AZA-annelated pyrroles, thiophenes, and furans CB RESEARCH AND DEVELOPMENT, INC. (US) 2006-08-17 US disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 US disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 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 (7 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 AXL 3934/4885NUDT1 962/4885TYR 1789/4885
US-20060183758-A1 Method for synthesis of AZA-annelated pyrroles, thiophenes, and furans TPMT, INMT, AANAT AXL 2823/4885NUDT1 21/4885TYR 115/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 AXL 3381/4885NUDT1 463/4885TYR 4159/4885
US-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB AXL 2506/4885NUDT1 3520/4885TYR 202/4885
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 AXL 1433/4885NUDT1 3188/4885TYR 1553/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 AXL 4798/4885NUDT1 1016/4885TYR 242/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 AXL 290/4885NUDT1 2531/4885TYR 1294/4885

“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.