SCHEMBL1230573

SCHEMBL1230573

[c]1cccc2c1OCCC2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL1897286 0.94 TSHR (0.39) TSHR
SCHEMBL106035 0.88
SCHEMBL3034212 0.81 TSHR (0.33) TSHR
SCHEMBL3026558 0.76 TSHR (0.37) TSHR
SCHEMBL2542461 0.74 LMNA (0.34)
SCHEMBL1486046 0.74
SCHEMBL106757 0.73 ITGB2 (0.41)
SCHEMBL9466531 0.72
SCHEMBL21462 0.68 ITGB2 (0.50)
SCHEMBL5750764 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755956-B1 2,4-DISUBSTITUTED 5-FLUORO-PYRIMIDINES AS SELECTIVE CDK9 INHIBTORS BAYER IP GMBH (DE) 2016-05-18 EP claimed
US-9108926-B2 Disubstituted 5-fluoro-pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US claimed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US claimed
JP-4554364-B2 2010-09-29 JP claimed
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
EP-1537106-A1 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2005-06-08 EP claimed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
WO-2004014910-A1 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS MITSUBISHI PHARMA CORPORATION (JP) 2004-02-19 WO claimed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP claimed
WO-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO claimed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO claimed
US-9708293-B2 N-(pyridin-2-yl)pyrimidin-4-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-9670161-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
EP-2909200-B1 N-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2016-11-23 EP disclosed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed
EP-0839133-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1998-05-06 EP disclosed
WO-1997003050-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1997-01-30 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-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB TSHR 4767/4885CLK1 1292/4885DYRK1A 245/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP TSHR 2961/4885CLK1 3195/4885DYRK1A 2727/4885

“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.