SCHEMBL2383728

SCHEMBL2383728

Cc1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2CC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2385830 0.85 F2RL3 (0.41) F2RL3RAB9AKDM4EHTTPGR
SCHEMBL4577625 0.84 PTGDR2 (0.47) F2RL3CYP2C9KDM4ECXCR3PTGDR2
SCHEMBL2382190 0.84 F2RL3 (0.46) F2RL3RAB9AKDM4EHTTAPAF1
SCHEMBL3573681 0.82 MAPT (0.37) KDM4EMAPTCNR1CNR2
SCHEMBL2384363 0.81 CXCR3 (0.39) F2RL3CYP2C9MAPTCXCR3PTGDR2
SCHEMBL2381078 0.80 PGR (0.41) F2RL3CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL4771698 0.78 F2RL3 (0.40) F2RL3RAB9AKDM4EHTTAPAF1
SCHEMBL1340407 0.77 KDM4E (0.36) F2RL3RAB9AKDM4EMAPTHSD11B1
SCHEMBL2385112 0.76 P2RX3 (0.39) F2RL3
SCHEMBL1339422 0.75 KDM4E (0.39) F2RL3CYP2C9CYP3A4CYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012991-B2 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indole-6-carboxylic acid; gamma-aminobutyric acid modulator; anticarcinogenic, antitumor, antiproliferative agent; amidating a 2-aminoindole with an alpha-substituted-beta-hydroxy-alkyl acrylate SANOFI-AVENTIS (FR) 2011-09-06 — — US disclosed
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2008-09-04 — — US disclosed
US-7390818-B2 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-06-24 — — US disclosed
US-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 — — 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 (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-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics PNPO, PDXK, PLPBP F2RL3 1153/4885RAB9A 2572/4885CYP2C9 544/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD F2RL3 1768/4885RAB9A 1985/4885CYP2C9 791/4885

“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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