SCHEMBL805590

SCHEMBL805590

Cc1nc(-c2ccccc2C(F)(F)F)nc(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.51
CYP1A2 P05177 9/20 0.51
CYP2D6 P10635 6/20 0.51
CYP2C19 P33261 6/20 0.51
CLK4 Q9HAZ1 3/20 0.51
CYP2C9 P11712 2/20 0.51
RECQL P46063 1/20 0.51
CYP3A4 P08684 7/20 0.50
TSHR P16473 4/20 0.50
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
TRPA1 O75762 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL785914 0.89 CYP1A2 (0.49) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL14529268 0.89 DPP4 (0.46) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL14393908 0.85 CYP1A2 (0.43) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL14471570 0.82 CYP1A2 (0.48) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL805589 0.81 HSD11B1 (0.51) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL15495466 0.77 PDK2 (0.53) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL802782 0.76 GSK3A (0.46) CYP1A2CYP2D6CYP2C19CLK4CYP2C9
SCHEMBL14471568 0.75 PARP1 (0.42) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL786243 0.75 KMT2A (0.60) HSD11B1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL786785 0.75 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19CLK4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 HSD11B1 2833/4885CYP1A2 3042/4885CYP2D6 4165/4885

“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.