SCHEMBL11906147

SCHEMBL11906147

NC(=O)c1cc2nnc(N)n2nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 11/20 0.39
▸ CHEK1 O14757 2/20 0.31
▸ GRK5 P34947 2/20 0.31
▸ CSNK1A1 P48729 2/20 0.31
▸ LIMK1 P53667 2/20 0.31
▸ TYRO3 Q06418 2/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ DYRK1B Q9Y463 2/20 0.31
▸ LTK P29376 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ MET P08581 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
SCHEMBL1203899 0.73 MEN1 (0.34) CHEK1GRK5CSNK1A1LIMK1TYRO3
Trifluoroacetic Acid SCHEMBL1188080 0.70 DPP4 (0.36) LRRK2
SCHEMBL1189661 0.69 CHEK1 (0.32) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL9907129 0.66 GAA (0.36) CASP1CHEK1GRK5CSNK1A1LIMK1
SCHEMBL669037 0.64 CASP1 (0.56) CASP1LIMK1AURKADAPK3FGFR1
SCHEMBL1187755 0.62 KDM4E (0.64) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL4301935 0.61 POLB (0.36) LMNAPOLB
Bromide SCHEMBL1188167 0.61 KDM4E (0.62) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL8799072 0.61 ADORA2A (0.41) PARP1PARP2PARP3LMNATSHR
SCHEMBL29406095 0.60 CASP1 (0.47) CASP1LMNANNMTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 — — US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 — — 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-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CASP1 70/4885CHEK1 3413/4885GRK5 342/4885

“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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