SCHEMBL111470

SCHEMBL111470

Cn1ccc2ccc(CN)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.49
PRKCI P41743 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.41
PIK3CB P42338 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KLKB1 P03952 1/20 0.35
HTR7 P34969 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
PRKCB P05771 2/20 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
SCHEMBL6743247 0.85 CYP2A6 (0.46) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL110146 0.85 PRKCI (0.58) CYP2A6PRKCIFAAHPIK3CB
SCHEMBL8303438 0.82 CYP2A6 (0.50) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL25185804 0.81 CYP2A6 (0.49) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL6583538 0.81 CYP2A6 (0.49) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL14473327 0.81 CYP2A6 (0.49) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
Hydrochloric Acid SCHEMBL27898641 0.79 CYP2A6 (0.47) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL6945456 0.78 CYP2A6 (0.46) CYP2A6PRKCIL3MBTL1FAAHPIK3CB
SCHEMBL12373312 0.78 CYP2A6 (0.50) CYP2A6PRKCIL3MBTL1FAAH
SCHEMBL23031957 0.78 CYP2A6 (0.50) CYP2A6PRKCIL3MBTL1FAAHPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-04-22 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2024218632-A1 ERK PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-10-24 WO disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 EP disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 EP disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
EP-3931188-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-01-05 EP disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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 (6 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP2A6 799/4885PRKCI 4503/4885L3MBTL1 3221/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CYP2A6 1385/4885PRKCI 4746/4885L3MBTL1 1143/4885
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors NRAS, KRAS, RASSF5 CYP2A6 2377/4885PRKCI 749/4885L3MBTL1 2370/4885
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS NRAS, RASSF5, KRAS CYP2A6 2449/4885PRKCI 694/4885L3MBTL1 2427/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP2A6 4365/4885PRKCI 2698/4885L3MBTL1 1869/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP2A6 4613/4885PRKCI 2169/4885L3MBTL1 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.