SCHEMBL827828

SCHEMBL827828

O=C(Cn1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccnc(CO)c1)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 7/20 0.43
▸ CHRNA7 P36544 1/20 0.38
▸ KDR P35968 5/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ BRAF P15056 4/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 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 0.91 GRIN2B (0.41) GRIN2BKDRABL1LCKCSF1R
SCHEMBL827775 0.88 GRIN2B (0.42) GRIN2BKDRABL1LCKCSF1R
SCHEMBL827949 0.76 STK17A (0.40) CHRNA7KDRABL1LCKCSF1R
SCHEMBL827751 0.73 KDR (0.39) GRIN2BCHRNA7KDRABL1LCK
SCHEMBL827550 0.72 KDR (0.38) CHRNA7KDRABL1LCKCSF1R
SCHEMBL827954 0.72 GSK3B (0.43) CHRNA7KDRABL1LCKCSF1R
SCHEMBL827761 0.71 TDO2 (0.43) CHRNA7KDRABL1LCKCSF1R
SCHEMBL827769 0.71 EGFR (0.37) GRIN2BCHRNA7KDRABL1LCK
SCHEMBL862180 0.71 TDO2 (0.49) CHRNA7KDRABL1LCKCSF1R
SCHEMBL827676 0.70 TDO2 (0.42) CHRNA7KDRABL1LCKCSF1R

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 235/4885CHRNA7 9/4885KDR 1310/4885

“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