SCHEMBL14844882

SCHEMBL14844882

Fc1ccc(-c2nn3c(c2Br)CCC3)cc1.[Ar]

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.52
TGFBR1 P36897 8/20 0.50
MAPK14 Q16539 4/20 0.41
CSNK1E P49674 2/20 0.37
CSNK1D P48730 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14844873 0.98 THRB (0.53) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL17373680 0.94 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL29049905 0.85 TGFBR1 (0.49) THRBTGFBR1MAPK14CSNK1D
SCHEMBL2526666 0.83 THRB (0.43) THRBTGFBR1MAPK14KDM4E
SCHEMBL14844957 0.82 TGFBR1 (0.54) THRBTGFBR1MAPK14CSNK1E
SCHEMBL25220259 0.80 MAPK14 (0.46) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2522830 0.80 THRB (0.53) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL14844860 0.79 THRB (0.43) THRBTGFBR1CSNK1ECSNK1D
SCHEMBL24348532 0.78 TGFBR1 (0.56) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL19991802 0.78 THRB (0.41) THRBTGFBR1MAPK14CSNK1ECSNK1D

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 THRB 4167/4885TGFBR1 1833/4885MAPK14 3095/4885

“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.