SCHEMBL3773602

SCHEMBL3773602

Cc1cc(-n2nc(Nc3ccc(F)c(C(F)(F)F)c3)nc2C[C@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.35
▸ STK17A Q9UEE5 2/20 0.34
▸ GSK3B P49841 6/20 0.34
▸ RXRA P19793 3/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ MAPK1 P28482 4/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ STK17B O94768 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL13014529 1.00 TDO2 (0.35) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL8026869 0.82 STK17A (0.40) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL3773612 0.77 STK17A (0.44) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL3776291 0.77 STK17A (0.42) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL3778561 0.76 STK17A (0.42) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL3776914 0.75 KDR (0.42) GSK3BCDK4JAK2
SCHEMBL3776913 0.75 KDR (0.42) GSK3BCDK4JAK2
SCHEMBL13014533 0.75 KDR (0.42) GSK3BCDK4JAK2
SCHEMBL27806962 0.73 STK17A (0.40) TDO2STK17AGSK3BRXRAGRIN1
SCHEMBL3772566 0.71 STK17A (0.41) TDO2STK17AGSK3BRXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 — — EP disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE TDO2 1195/4885STK17A 1346/4885GSK3B 1284/4885

“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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