SCHEMBL189068

SCHEMBL189068

CCOc1cc(Br)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.39
ENPP1 P22413 1/20 0.38
LMNA P02545 2/20 0.37
AOC3 Q16853 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 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
SCHEMBL19491477 0.85 ENPP1 (0.41) HPGDSMN1; SMN2ALDH1A1ENPP1LMNA
SCHEMBL23163250 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHSD17B10KMT2AMEN1
SCHEMBL30499138 0.81 EGFR (0.33) GRM5TSHRKMT2AMEN1POLB
SCHEMBL2147358 0.81 EGFR (0.33) GRM5TSHRKMT2AMEN1POLB
SCHEMBL29812510 0.80 PLAU (0.42) ALDH1A1L3MBTL1POLB
SCHEMBL27020347 0.80 ALDH1A1 (0.38) ALDH1A1MAPTTHRB
SCHEMBL17593337 0.80 PLAU (0.42) ALDH1A1L3MBTL1POLB
SCHEMBL188693 0.80 GRM5 (0.47) GRM5HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL608749 0.80 CHRNB2 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL30366269 0.80 CHRNB2 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed
CN-115803316-B Pyridone compound, and preparation method and application thereof 深圳晶泰科技有限公司 2024-12-06 CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
CN-115803316-A Pyridone compound and preparation method and application thereof 深圳晶泰科技有限公司 2023-03-14 CN disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
WO-2022017524-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳晶泰科技有限公司 2022-01-27 WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2401273-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-01-04 EP disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2011087776-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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 (2 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG GRM5 1774/4885HPGD 1678/4885SMN1; SMN2 1838/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A GRM5 4751/4885HPGD 2376/4885SMN1; SMN2 2382/4885

“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.