SCHEMBL442572

SCHEMBL442572

[c]1ccc2c(n1)CNC=C2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37

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
SCHEMBL1266263 0.59 PARP1 (0.34) PARP1
SCHEMBL2582245 0.59 PARP1 (0.47) PARP1
Bromide SCHEMBL19031040 0.54 PARP1 (0.91) PARP1
Iodide SCHEMBL7226882 0.54 PARP1 (0.91) PARP1
SCHEMBL3626662 0.52
SCHEMBL14993560 0.51 PARP1 (0.52) PARP1
SCHEMBL11142660 0.51 PARP1 (0.52) PARP1
SCHEMBL16229535 0.51 PARP1 (0.52) PARP1
SCHEMBL5971072 0.51 PARP1 (0.81) PARP1
SCHEMBL4242922 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2019-08-01 US disclosed
US-9655886-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-05-23 US disclosed
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-01-05 US disclosed
EP-2145887-B1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2016-04-27 EP disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8541437-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for the production and use thereof ALLA CHEM, LLC (US) 2013-09-24 US disclosed
WO-2000040547-A1 α-SUBSTITUTION OF UNPROTECTED β-AMINO ESTER COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-13 WO disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
WO-1999031491-A1 METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-06-24 WO disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO 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-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ADORA3, HTR3C, TRPV3 PARP1 2723/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD PARP1 2026/4885
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B PARP1 3007/4885

“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.