SCHEMBL14844752

SCHEMBL14844752

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
THRB P10828 9/20 0.48
CSNK1E P49674 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MAPK14 Q16539 2/20 0.32
TGFBR2 P37173 2/20 0.31
MAP3K20 Q9NYL2 2/20 0.31
P2RX7 Q99572 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL14845035 0.90 TGFBR1 (0.39) TGFBR1THRBCSNK1ETGFBR2
SCHEMBL14844993 0.87 THRB (0.46) TGFBR1THRBCSNK1ELPLLIPG
SCHEMBL14844957 0.74 TGFBR1 (0.54) TGFBR1THRBCSNK1ECYP11B1CYP11B2
SCHEMBL24054093 0.72 P2RX7 (0.37) P2RX7
SCHEMBL24548256 0.71 LPL (0.42) CSNK1ELPLLIPG
SCHEMBL25224352 0.71 CSNK1D (0.43) TGFBR1THRBCSNK1ELPLLIPG
SCHEMBL24554220 0.70 LPL (0.41) CSNK1ELPLLIPGMAPK14HTR7
SCHEMBL25786555 0.69 P2RX7 (0.34) P2RX7
SCHEMBL20758274 0.68 CDK4 (0.36) TGFBR1THRBLPLLIPGP2RX7
SCHEMBL24547960 0.68 CSNK1E (0.46) CSNK1ELPLLIPG

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 4167/4885CSNK1E 1305/4885

“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.