SCHEMBL358061

SCHEMBL358061

Ic1cccc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 1.00
AXL P30530 2/20 0.59
IDO1 P14902 3/20 0.55
METAP2 P50579 1/20 0.53
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CDK2 P24941 1/20 0.45
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.41
PDPK1 O15530 1/20 0.41
DHPS P49366 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL12601112 0.76 NOS1 (0.61) NOS1AXLIDO1METAP2JAK2
SCHEMBL476854 0.74 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL277055 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL18193497 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL4314318 0.74 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL5951586 0.74 AXL (0.63) NOS1AXLIDO1METAP2JAK2
SCHEMBL277054 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL907863 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL155255 0.74 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL29692441 0.74 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105924385-A Diarylthiourea compound with antitumor activity, and preparation method and application thereof 西安交通大学 2016-09-07 CN claimed
CN-102372675-A 6-chlorine-4-iodine indazole, preparation method and application thereof SHENZHEN INOVA MEDICAL TECHNOLOGY DEV CO LTD 2012-03-14 CN claimed
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2025-12-25 US disclosed
WO-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 WO disclosed
EP-3586835-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ARYL ETHERS PELOTON THERAPEUTICS INC (US) 2023-11-22 EP disclosed
EP-4257196-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS The University of Hong Kong (HK) 2023-10-11 EP disclosed
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO 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-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
CN-101679310-A Alkynylpyrimidines as Tie2 kinase inhibitors BAYER SCHERING PHARMA AG 2010-03-24 CN disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 WO disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 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 (5 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-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG NOS1 2543/4885AXL 651/4885IDO1 2180/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA NOS1 3929/4885AXL 1406/4885IDO1 2760/4885
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 NOS1 61/4885AXL 57/4885IDO1 841/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA NOS1 3265/4885AXL 1235/4885IDO1 3780/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 NOS1 1992/4885AXL 613/4885IDO1 1546/4885

“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.