SCHEMBL14845035

SCHEMBL14845035

CC1(C)OB(c2c(-c3ccc(F)c(Cl)c3)nn3c2CCC3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.39
THRB P10828 5/20 0.39
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
EGFR P00533 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GRM2 Q14416 4/20 0.33
UGCG Q16739 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGS2 P35354 1/20 0.32
TGFBR2 P37173 2/20 0.32
PGR P06401 2/20 0.32

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
SCHEMBL14844752 0.90 TGFBR1 (0.48) TGFBR1THRBCSNK1ETGFBR2
SCHEMBL14844993 0.84 THRB (0.46) TGFBR1THRBCSNK1DCSNK1E
SCHEMBL14844860 0.76 THRB (0.43) TGFBR1THRBCSNK1DCSNK1EPDE4A
SCHEMBL24054093 0.70 P2RX7 (0.37)
SCHEMBL25224352 0.69 CSNK1D (0.43) TGFBR1THRBCSNK1DCSNK1EEGFR
SCHEMBL24548256 0.69 LPL (0.42) CSNK1DCSNK1E
SCHEMBL18115036 0.69 TGFBR1 (0.47) TGFBR1THRBTGFBR2
SCHEMBL24554220 0.68 LPL (0.41) CSNK1DCSNK1EKCNH2
SCHEMBL16708912 0.68 CSNK1E (0.48) TGFBR1CSNK1DCSNK1E
SCHEMBL14844378 0.68 TGFBR1 (0.46) TGFBR1THRBGRM2TGFBR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP disclosed
US-9314026-B2 Heterocyclylpyri(mi)dinylpyrazole BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 US disclosed
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 US disclosed
EP-2763993-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050434-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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 (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-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE H1-0, NQO2, CCNI TGFBR1 1833/4885THRB 4167/4885CSNK1D 766/4885

“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.