SCHEMBL3778561

SCHEMBL3778561

Cc1cc(-n2nc(Nc3ccc(F)c(C(F)(F)F)c3)nc2CCCO)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 3/20 0.42
▸ TDO2 P48775 3/20 0.39
▸ STK17B O94768 1/20 0.38
▸ CHRNA7 P36544 1/20 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
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL3776291 0.92 STK17A (0.42) STK17ATDO2STK17BABL1LCK
SCHEMBL3773612 0.92 STK17A (0.44) STK17ATDO2STK17BCHRNA7ABL1
SCHEMBL8026869 0.85 STK17A (0.40) STK17ATDO2STK17BCHRNA7ABL1
SCHEMBL27806962 0.79 STK17A (0.40) STK17ATDO2STK17BCHRNA7ABL1
SCHEMBL3772566 0.79 STK17A (0.41) STK17ATDO2STK17BGSK3BJAK2
SCHEMBL3772569 0.79 STK17A (0.41) STK17ATDO2STK17BGSK3BJAK2
SCHEMBL13014529 0.76 TDO2 (0.35) STK17ATDO2STK17BGSK3BJAK2
SCHEMBL3773602 0.76 TDO2 (0.35) STK17ATDO2STK17BGSK3BJAK2
SCHEMBL1506344 0.73 MAPK1 (0.36) TDO2GSK3BEGFRMAPK1
SCHEMBL827665 0.70 STK17A (0.49) STK17ATDO2STK17BCHRNA7ABL1

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 8 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
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
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
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US disclosed
WO-2009115547-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-24 — — WO 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 STK17A 1346/4885TDO2 1195/4885STK17B 1724/4885

“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