SCHEMBL827647

SCHEMBL827647

CS/C(=N\C(=O)c1ccncc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.56
KDR P35968 3/20 0.56
MAPK14 Q16539 2/20 0.56
TNNI3K Q59H18 2/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
RXFP1 Q9HBX9 1/20 0.53
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.47
IDE P14735 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45

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
SCHEMBL9217147 0.82 KCNQ3 (0.52) BRAFKDRMAPK14KMT2AMEN1
SCHEMBL827645 0.79 CCR2 (0.57) RXFP1TSHRMAPTHTTRAB9A
SCHEMBL3486022 0.78 RXFP1 (0.79) BRAFKMT2AMEN1RXFP1TSHR
SCHEMBL12336440 0.76 MAPT (0.55) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL12336328 0.75 MAPT (0.54) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL11367854 0.73 NAPRT (0.46) KMT2AMEN1TSHRMAPTHTT
SCHEMBL11367857 0.73 NAPRT (0.46) KMT2AMEN1TSHRMAPTHTT
SCHEMBL16013094 0.72 MAPT (0.50) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL16013095 0.72 MAPT (0.50) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL3177619 0.71 KDR (1.00) BRAFKDRMAPK14TNNI3KKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 BRAF 3906/4885KDR 1310/4885MAPK14 3015/4885

“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.