SCHEMBL16786490

SCHEMBL16786490

CC(=O)c1n[nH]c2c1CCC(c1cnn(COCC[Si](C)(C)C)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.43
▸ AURKA O14965 3/20 0.38
▸ ITK Q08881 3/20 0.38
▸ KLKB1 P03952 3/20 0.37
▸ FGFR4 P22455 2/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 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
SCHEMBL16765677 0.91 HCAR2 (0.42) HCAR2AURKAITKKLKB1FGFR4
SCHEMBL15565347 0.89 HCAR2 (0.41) HCAR2AURKAITKKLKB1FGFR4
SCHEMBL15564580 0.83 HCAR2 (0.41) HCAR2AURKAITKKLKB1NPC1
SCHEMBL15564844 0.78 KLKB1 (0.40) HCAR2KLKB1
SCHEMBL584369 0.75 KLKB1 (0.35) KLKB1
SCHEMBL16766379 0.75 KLKB1 (0.40) KLKB1
SCHEMBL15565602 0.74 KLKB1 (0.38) HCAR2KLKB1
SCHEMBL25287756 0.73 DGAT1 (0.37) KLKB1
SCHEMBL20299094 0.71 DGAT1 (0.34) KLKB1
SCHEMBL2893669 0.69 L3MBTL1 (0.40) KLKB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 — — US disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 — — US 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-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR2 154/4885AURKA 1154/4885ITK 3417/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR2 154/4885AURKA 1154/4885ITK 3417/4885

“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.

Send feedback