SCHEMBL244970

SCHEMBL244970

Cn1cc(-c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.56
EPHB4 P54760 1/20 0.56
AXL P30530 2/20 0.55
METAP2 P50579 1/20 0.54
CHEK1 O14757 1/20 0.53
BRD4 O60885 1/20 0.51
EPHX2 P34913 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DYRK1A Q13627 1/20 0.50
NAMPT P43490 1/20 0.49
PIM1 P11309 1/20 0.49
NAAA Q02083 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ALK Q9UM73 1/20 0.46
GRM2 Q14416 1/20 0.44
PDK2 Q15119 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL20774126 0.98 KDR (0.55) KDREPHB4AXLMETAP2CHEK1
Ammonia Solution, Strong SCHEMBL18398465 0.98 KDR (0.55) KDREPHB4AXLMETAP2CHEK1
SCHEMBL27706330 0.89 KDR (0.52) KDREPHB4AXLMETAP2CHEK1
SCHEMBL2035062 0.84 CHEK1 (0.50) KDREPHB4AXLMETAP2CHEK1
SCHEMBL17809768 0.82 KDR (0.47) KDREPHB4AXLMETAP2CHEK1
SCHEMBL28432597 0.80 MKNK1 (0.49) KDREPHB4AXLBRD4NAMPT
SCHEMBL844281 0.80 LRRK2 (0.61) KDREPHB4AXLBRD4NAMPT
SCHEMBL359835 0.80 DYRK1A (0.53) KDRDYRK1AMKNK1MKNK2
SCHEMBL29736927 0.79 DYRK1A (0.69) CHEK1L3MBTL1DYRK1AMKNK1MKNK2
SCHEMBL12535875 0.79 DYRK1A (0.69) CHEK1L3MBTL1DYRK1AMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500216-A 2012-01-05 JP claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
CN-118878508-A DC-Rhoin derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-11-01 CN disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2023-04-20 US disclosed
EP-4052700-A1 INHIBITOR OF PROTEIN KINASE D (PKD) FOR USE IN PREVENTION OR TREATMENT OF OBESITY AND A PHARMACEUTICAL COMPOSITION FOR SUCH USE Instytut Biologii doswiadczalnej imienia Marcelego Nenckiego Polskiej Akademii Nauk (PL) 2022-09-07 EP disclosed
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040176-A1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040178-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040177-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-5939436-A Five-membered heteroaromatic compounds as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1999-08-17 US disclosed
US-5191087-A PROCESS FOR THE SYNTHESIS OF 1,4-DISUBSTITUTED PYRAZOLES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1993-03-02 US disclosed
EP-0526281-A1 Process for the preparation of 1,4-substituted pyrazoles SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1993-02-03 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 (2 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-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 KDR 1558/4885EPHB4 4292/4885AXL 4424/4885
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP KDR 493/4885EPHB4 2618/4885AXL 1600/4885

“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.