SCHEMBL4064946

SCHEMBL4064946

O=Nc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 12/20 0.60
▸ CDK5R1 Q15078 12/20 0.60
▸ GSK3A P49840 12/20 0.60
▸ GSK3B P49841 12/20 0.60
▸ CDK1 P06493 9/20 0.60
▸ CCNB2 O95067 8/20 0.60
▸ CCNB1 P14635 8/20 0.60
▸ CCNB3 Q8WWL7 8/20 0.60
▸ AURKB Q96GD4 5/20 0.60
▸ AURKC Q9UQB9 5/20 0.60
▸ ALOX5 P09917 5/20 0.60
▸ FLT3 P36888 3/20 0.60
▸ AURKA O14965 3/20 0.60
▸ SGK1 O00141 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CCNT1 O60563 1/20 0.60
▸ GMNN O75496 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ STK17B O94768 1/20 0.60

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
SCHEMBL7915056 0.78 MEN1 (0.65) GSK3BCDK1MEN1NPC1USP2
SCHEMBL7915055 0.78 MEN1 (0.65) GSK3BCDK1MEN1NPC1USP2
SCHEMBL19400880 0.77 ESR1 (0.50) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL21420134 0.75 CDK5 (0.54) CDK5CDK5R1GSK3AGSK3BCDK1
Indirubin-3-Monoxime SCHEMBL29354191 0.75 CDK5R1 (1.00) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL29924508 0.74 GSK3B (0.72) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL11174102 0.74 AHR (0.55) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL18787054 0.73 ESR1 (0.87) MEN1ALDH1A1MAPTTSHRKMT2A
SCHEMBL18117823 0.72 GSK3B (0.50) CDK5CDK5R1GSK3AGSK3BCDK1
SCHEMBL3864662 0.71 ESR1 (1.00) ALDH1A1ESR1ESR2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4380629-A Styryl-like compounds showing a color-developing and bleaching behavior with improved stability and prolonged lifetime MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1983-04-19 — — US claimed
US-4314058-A Indolins styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-02-02 — — US claimed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 — — US claimed
CN-108218761-A A kind of preparation method of 3- nitroso -2- phenyl -1H- indoles 爱斯特(成都)生物制药股份有限公司 2018-06-29 — — CN disclosed
CN-108218761-A A kind of preparation method of 3- nitroso -2- phenyl -1H- indoles 爱斯特(成都)生物制药股份有限公司 2018-06-29 — — CN disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 — — EP disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 — — EP disclosed
EP-1603568-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2009-02-25 — — EP disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 — — US disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 — — US disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 — — US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 — — EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 — — EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 — — US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 — — US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 — — EP disclosed
US-4380629-A Styryl-like compounds showing a color-developing and bleaching behavior with improved stability and prolonged lifetime MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1983-04-19 — — US disclosed
US-4340624-A STYRYL-LIKE COMPOUNDS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-07-20 — — US disclosed
US-4003633-A Color display device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1977-01-18 — — 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 (1 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-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 CDK5 635/4885CDK5R1 1410/4885GSK3A 764/4885

“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.

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