SCHEMBL827676

SCHEMBL827676

CC(=O)NCCCn1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.42
▸ STK17A Q9UEE5 2/20 0.41
▸ FLT3 P36888 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ SYK P43405 3/20 0.38
▸ STK17B O94768 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ GRM2 Q14416 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ BRAF P15056 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
SCHEMBL827761 0.90 TDO2 (0.43) TDO2STK17AFLT3ABL1LCK
SCHEMBL827665 0.87 STK17A (0.49) TDO2STK17AFLT3ABL1LCK
SCHEMBL827759 0.86 TDO2 (0.41) TDO2STK17AFLT3ABL1LCK
SCHEMBL862180 0.85 TDO2 (0.49) TDO2STK17AFLT3ABL1LCK
SCHEMBL827718 0.82 TDO2 (0.45) TDO2STK17AFLT3ABL1LCK
SCHEMBL827760 0.78 CDK4 (0.41) TDO2STK17AFLT3ABL1LCK
SCHEMBL827954 0.77 GSK3B (0.43) STK17AFLT3ABL1LCKCSF1R
SCHEMBL827949 0.76 STK17A (0.40) TDO2STK17AFLT3ABL1LCK
SCHEMBL827822 0.75 GSK3B (0.46) TDO2STK17AFLT3ABL1LCK
SCHEMBL13674521 0.75 CHRNA7 (0.46) TDO2STK17AFLT3ABL1LCK

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 TDO2 1458/4885STK17A 1286/4885FLT3 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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