SCHEMBL827775

SCHEMBL827775

COC(=O)c1cc(-c2nc(Nc3ccc(F)c(C(F)(F)F)c3)nn2CC(=O)NC2CC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.42
▸ KDR P35968 6/20 0.37
▸ BRAF P15056 5/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL827976 0.89 GRIN2B (0.41) GRIN2BKDRBRAFTHRBTAS1R3
SCHEMBL827828 0.88 GRIN2B (0.43) GRIN2BKDRBRAFGRM4THRB
SCHEMBL827761 0.72 TDO2 (0.43) KDRBRAFGRM4ABL1LCK
SCHEMBL862180 0.71 TDO2 (0.49) KDRABL1LCKCSF1RLYN
SCHEMBL827954 0.71 GSK3B (0.43) KDRBRAFGRM4ABL1LCK
SCHEMBL827676 0.70 TDO2 (0.42) KDRBRAFGRM4ABL1LCK
SCHEMBL827721 0.70 JAK2 (0.39) GRIN2BKDRBRAFRAF1ABL1
SCHEMBL827678 0.70 GSK3B (0.43) KDRBRAFRAF1GRM4ABL1
SCHEMBL827759 0.70 TDO2 (0.41) GRIN2BKDRBRAFGRM4ABL1
SCHEMBL827665 0.70 STK17A (0.49) KDRABL1LCKCSF1RLYN

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 GRIN2B 235/4885KDR 1310/4885BRAF 3906/4885

“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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