SCHEMBL2955170

SCHEMBL2955170

Oc1ccc2[c]c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD51 Q06609 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 4/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
PDPK1 O15530 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GLA P06280 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
CA2 P00918 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1091810 0.83 NPSR1 (0.42) TYRGAAUSP2ALOX15RAD51
SCHEMBL9740880 0.73 SRC (0.37)
SCHEMBL17423817 0.69
SCHEMBL6345193 0.69 KIF11 (0.41) TYRGAAALDH1A1HTR2ALMNA
SCHEMBL10578414 0.69 HTR3E (0.36) GAAHTR2CKDM4EALDH1A1HPGD
SCHEMBL6352792 0.69 KIF11 (0.41) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL4243309 0.67 KIF11 (0.48) GAAALOX15KDM4EALDH1A1HPGD
SCHEMBL10355148 0.67 KDM4E (0.37) ALOX15NPSR1KDM4EALDH1A1HPGD
SCHEMBL10355483 0.67 TSHR (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL4851597 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US claimed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP claimed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 US claimed
WO-1991013071-A1 NOVEL TRISUBSTITUTED PYRROLS, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-05 WO claimed
US-4870087-A Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-26 US claimed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 EP claimed
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US claimed
CN-112218852-A Oxidized bis (3-indolyl) methane and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2021-01-12 CN disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
EP-0166183-A2 Use of hydroxyindole derivatives for the manufacture of a medicament for lowering the blood pressure MERCK PATENT GmbH (DE) 1986-01-02 EP disclosed
EP-0121716-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-10-17 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP 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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK TYR 2347/4885GAA 1740/4885USP2 1613/4885

“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.