SCHEMBL1255142

SCHEMBL1255142

COC(=O)c1cc2c(Cl)nccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ULK1 O75385 1/20 0.43
NR4A2 P43354 1/20 0.42
XDH P47989 2/20 0.41
DYRK1A Q13627 2/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41

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
SCHEMBL30967478 1.00 CYP1A2 (0.44) CYP1A2ULK1NR4A2XDHDYRK1A
SCHEMBL13175943 0.84 DYRK1A (0.51) CYP1A2ULK1NR4A2XDHDYRK1A
SCHEMBL23102527 0.82 CYP1A2 (0.44) CYP1A2ULK1NR4A2XDHDYRK1A
SCHEMBL24112892 0.82 NUDT1 (0.52) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL30310440 0.82 CYP1A2 (0.44) CYP1A2ULK1NR4A2XDHDYRK1A
SCHEMBL25758891 0.82 ALOX15 (0.54) DYRK1AKDM4E
SCHEMBL30189256 0.81 GRIN1 (0.50) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL24113095 0.81 GRIN1 (0.50) CYP1A2MAPTKDM4EALDH1A1LMNA
SCHEMBL1254304 0.80 MEN1 (0.42) CYP1A2ULK1XDHDYRK1AGABRP
SCHEMBL30967524 0.79 HIPK2 (0.43) KDM4EALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
WO-2006057922-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2006052555-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2006-05-18 WO disclosed
WO-2006052798-A2 METHOD OF TREATING PATHOLOGICAL BLUSHING MERCK & CO., INC. (US) 2006-05-18 WO disclosed
WO-2006026273-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-03-09 WO disclosed
EP-1624871-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-02-15 EP disclosed
US-20050272756-A1 Pyridopyrrolizine and pyridoindolizine derivatives MERCK CANADA INC. (CA) 2005-12-08 US disclosed
EP-1558614-A1 PYRIDOPYRROLIZINE AND PYRIDOINDOLIZINE DERIVATIVES Merck Frosst Canada & Co. (CA) 2005-08-03 EP disclosed
WO-2004103370-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS MERCK & CO., INC. (US) 2004-12-02 WO disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 US disclosed
WO-2004039807-A1 PYRIDOPYRROLIZINE AND PYRIDOINDOLIZINE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2004-05-13 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 (8 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-20050272756-A1 Pyridopyrrolizine and pyridoindolizine derivatives PTGIR, PTGIS, PTGES CYP1A2 325/4885ULK1 2470/4885NR4A2 211/4885
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 CYP1A2 2156/4885ULK1 3034/4885NR4A2 341/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ULK1 4791/4885NR4A2 948/4885

“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.