SCHEMBL3671419

SCHEMBL3671419

CCNc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
KMT2A Q03164 2/20 0.47
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.47
NOS1 P29475 1/20 0.47
LMNA P02545 1/20 0.46
KCNA5 P22460 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL11212067 0.87 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL27301684 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL6972024 0.85 MAPT (0.46) ALDH1A1MAPTKMT2AIDO1MEN1
Acetoacetic Acid SCHEMBL27885108 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL14155105 0.82 TLR8 (0.47) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL5885533 0.81 LMNA (0.48) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL16376886 0.81 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL28133362 0.81 ABL1 (0.44) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL8283686 0.81 FBP1 (0.43) ALDH1A1MAPTADORA2AKMT2AIDO1
SCHEMBL5538032 0.81 MAPT (0.38) GABRG2GABRB3GABRA5GABRA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN claimed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
CN-107922428-B Thienopyrrole compounds and their use as inhibitors of oplophorus-derived luciferase 普洛麦格公司 2021-02-05 CN disclosed
EP-3313846-B1 THIENOPYRROLE COMPOUNDS AND USES THEREOF AS INHIBITORS OF OPLOPHORUS-DERIVED LUCIFERASES PROMEGA CORP (US) 2020-05-06 EP disclosed
US-20200063110-A1 THIENOPYRROLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2020-02-27 US disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
CN-109813699-A A kind of gaseous aldehyde detection method based on SERS- micro-fluidic chip 东南大学 2019-05-28 CN disclosed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN disclosed
EP-3313846-A1 THIENOPYRROLE COMPOUNDS AND USES THEREOF AS INHIBITORS OF OPLOPHORUS-DERIVED LUCIFERASES Promega Corporation (US) 2018-05-02 EP disclosed
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
WO-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
EP-0907731-B1 METABOTROPIC GABA(B) RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES NOVARTIS AG (CH) 2005-03-02 EP disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
US-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses NOVARTIS AG (CH) 2002-07-11 US disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-0907731-A1 METABOTROPIC GABA(B) RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES Novartis AG (CH) 1999-04-14 EP disclosed
WO-1997046675-A1 METABOTROPIC GABA[B] RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES NOVARTIS AG (CH) 1997-12-11 WO disclosed
US-5276148-A Phenylazobenzenes or naphthylazobenzenes having a plurality of fiber-reactive groups BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 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 (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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 GABRG2 1830/4885GABRB3 1611/4885GABRA5 1368/4885
US-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses GABBR1, GABBR2, GABRB1 GABRG2 15/4885GABRB3 5/4885GABRA5 10/4885
US-20200063110-A1 THIENOPYRROLE COMPOUNDS AND USES THEREOF THOP1, TYMP, CREBBP GABRG2 1460/4885GABRB3 742/4885GABRA5 1711/4885

“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.