SCHEMBL14844378

SCHEMBL14844378

Nc1cc(-c2c(-c3ccc(F)c(Cl)c3)nn3c2CCC3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.46
THRB P10828 8/20 0.46
MET P08581 1/20 0.42
TGFBR2 P37173 4/20 0.40
MAP3K20 Q9NYL2 3/20 0.40
MAPK14 Q16539 2/20 0.39
EPHB4 P54760 1/20 0.38
GRM2 Q14416 1/20 0.37
CYP2D6 P10635 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
SCHEMBL14844930 0.90 TGFBR1 (0.56) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL18115036 0.86 TGFBR1 (0.47) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL29994161 0.85 THRB (0.58) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL14845042 0.85 THRB (0.58) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL2524801 0.82 THRB (0.54) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL18115041 0.81 TGFBR1 (0.48) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL18114936 0.78 TGFBR1 (0.54) TGFBR1THRBMAP3K20GRM2
SCHEMBL18115102 0.78 TGFBR1 (0.44) TGFBR1THRBTGFBR2MAP3K20MAPK14
SCHEMBL18114988 0.76 TGFBR1 (0.46) TGFBR1THRBTGFBR2MAP3K20CYP2D6
SCHEMBL18115001 0.76 TGFBR1 (0.48) TGFBR1THRBTGFBR2MAP3K20MAPK14

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 4167/4885MET 4305/4885

“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.