SCHEMBL3968879

SCHEMBL3968879

c1ccc(/N=C2\N/C(=N/c3ccccn3)c3ccccc32)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PLAU P00749 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL3968881 1.00 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL31493860 1.00 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL9976117 1.00 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4402093 0.98 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4405611 0.98 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4402096 0.98 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4405615 0.98 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL26453690 0.88 GSK3B (0.45) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4074981 0.85 MAPT (0.38) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL21715832 0.85 MAPT (0.38) HSD17B10MAPK1TP53ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427759-B1 TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEM LP (US) 2009-12-23 EP claimed
EP-1699834-B1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS EQUISTAR CHEM LP (US) 2008-10-29 EP claimed
EP-1694723-B1 PREPARATION OF OLEFIN-ACRYLIC COPOLYMERS WITH LATE TRANSITION METAL CATALYSTS EQUISTAR CHEM LP (US) 2007-05-02 EP claimed
EP-1699834-A1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS Equistar Chemicals, LP (US) 2006-09-13 EP claimed
WO-2005066225-A1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS EQUISTAR CHEMICALS, LP (US) 2005-07-21 WO claimed
US-20050143537-A1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS EQUISTAR CHEMICALS, LP 2005-06-30 US claimed
US-6903169-B1 LTMC polymerization of unsaturated monomers EQUISTAR CHEMICALS, LP (US) 2005-06-07 US claimed
US-6844402-B1 Preparation of olefin-acrylic copolymers with late transition metal catalysts EQUISTAR CHEMICALS, LP (US) 2005-01-18 US claimed
US-6693154-B2 AN ORGANOMETALLIC COMPLEX CONTAINS A TRANSITION OR LANTHANIDE METAL AND 1,3-BIS(ARYLIMINO)ISOINDOLINE OR 1,3-BIS(HETEROARYLIMINO) ISOINDOLINE; ETHYLENE COPOLYMER WITH HIGH MOLECULAR WEIGHT, BROAD MOLECULAR WEIGHT DISTRIBUTION EQUISTAR CHEMICALS, LP 2004-02-17 US claimed
US-20030065113-A1 Transition metal catalysts for olefin polymerization EQUISTAR CHEMICALS, LP 2003-04-03 US claimed
EP-0270468-B1 PROCESS FOR PREPARING A MIXTURE CONTAINING CYCLOHEXANOL AND CYCLOHEXANONE FROM CYCLOHEXANE RHONE-POULENC CHIMIE (FR) 1991-07-24 EP claimed
US-4499305-A FORMING STABLE DISPERSIONS OF A TRANSITION METAL COMPLEX AND 1,3-BIS/2-PYRIDYLIMINO/ISOINDOLINE IN CYCLOHEXANOL, CYCLOHEXANONE AND/OR CYCLOHEXANE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-12 US claimed
US-10577387-B1 Platinum (II) complexes containing N-heterocyclic carbene ligand and pincer ligands, synthesis, and their applications in cancer treatment THE UNIVERSITY OF HONG KONG (CN) 2020-03-03 US disclosed
US-20200048291-A1 PLATINUM (II) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND AND PINCER LIGANDS, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT VERSITECH LIMITED (CN) 2020-02-13 US disclosed
US-9412955-B2 Fluorescent isoindoline dyes UNIVERSAL DISPLAY CORPORATION (US) 2016-08-09 US disclosed
US-20150318494-A1 Fluorescent Isoindoline Dyes UNIV SOUTHERN CALIFORNIA (US) 2015-11-05 US disclosed
EP-0048024-A1 Improved process for producing 1,3-bis(2-pyridylimino)isoindolines and compositions containing transition metal complexes thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-24 EP disclosed
EP-0048024-A1 Improved process for producing 1,3-bis(2-pyridylimino)isoindolines and compositions containing transition metal complexes thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-24 EP disclosed
EP-0027937-A1 Improved process for producing a mixture containing cyclohexanol and cyclohexanone from cyclohexane E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-06 EP disclosed
EP-0027937-A1 Improved process for producing a mixture containing cyclohexanol and cyclohexanone from cyclohexane E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-06 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-20200048291-A1 PLATINUM (II) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND AND PINCER LIGANDS, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT PIN4, PAICS, PIN1 HSD17B10 3631/4885MAPK1 3910/4885TP53 13/4885
US-20150318494-A1 Fluorescent Isoindoline Dyes OCIAD1, OCIAD2, OXA1L HSD17B10 1507/4885MAPK1 4155/4885TP53 2470/4885
US-10577387-B1 Platinum (II) complexes containing N-heterocyclic carbene ligand and pincer ligands, synthesis, and their applications in cancer treatment PIN4, PAICS, PIN1 HSD17B10 3631/4885MAPK1 3910/4885TP53 13/4885

“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.