SCHEMBL827768

SCHEMBL827768

CN(C)C(=O)CCn1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cnc2c(c1)CCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ STK17A Q9UEE5 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ BLK P51451 1/20 0.34

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
SCHEMBL827749 0.84 CYP11B2 (0.40) KITFLT3GRIN2BSTK17A
SCHEMBL827751 0.79 KDR (0.39) KITKDRFLT3BRAFGRIN2B
SCHEMBL827759 0.78 TDO2 (0.41) KITKDRFLT3BRAFGRIN2B
SCHEMBL827769 0.77 EGFR (0.37) KITKDRFLT3BRAFGRIN2B
SCHEMBL827760 0.76 CDK4 (0.41) KITKDRFLT3BRAFGRIN2B
SCHEMBL13674521 0.72 CHRNA7 (0.46) KITKDRFLT3STK17AABL1
SCHEMBL827954 0.71 GSK3B (0.43) KITKDRFLT3BRAFSTK17A
SCHEMBL827761 0.70 TDO2 (0.43) KITKDRFLT3BRAFSTK17A
SCHEMBL827949 0.69 STK17A (0.40) KITKDRFLT3BRAFSTK17A
SCHEMBL827678 0.69 GSK3B (0.43) KITKDRFLT3BRAFSTK17A

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 KIT 2475/4885KDR 1310/4885FLT3 1070/4885

“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.

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