SCHEMBL15413767

SCHEMBL15413767

C=C(CO)c1cc(C#N)cc(NC(=O)O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 7/20 0.51
▸ TRPM4 Q8TD43 1/20 0.37
▸ ACLY P53396 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TMPRSS4 Q9NRS4 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.30

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
SCHEMBL15414134 0.90 GPR35 (0.49) GPR35TRPM4ACLYKCNH2MEN1
SCHEMBL15413827 0.83 GPR35 (0.54) GPR35TRPM4ACLYMEN1KMT2A
SCHEMBL11946654 0.74 GPR35 (0.90) GPR35LMNAMAPTTSHRHTT
SCHEMBL15408019 0.74 GPR35 (0.59) GPR35TRPM4KCNH2MEN1KMT2A
SCHEMBL15414003 0.74 GPR35 (0.49) GPR35TRPM4MEN1KMT2A
SCHEMBL15408016 0.73 GPR35 (0.55) GPR35TRPM4ACLYMEN1KMT2A
SCHEMBL6439833 0.73 GPR35 (0.63) GPR35TRPM4MEN1KMT2ALMNA
SCHEMBL15413595 0.73 GPR35 (0.51) GPR35TRPM4MEN1KMT2AMAPT
SCHEMBL15414374 0.71 GPR35 (0.49) GPR35TRPM4MEN1KMT2AMAP2K1
SCHEMBL15414126 0.69 GPR35 (0.50) GPR35TRPM4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 — — US disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 — — US disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
EP-2872514-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-05-20 — — EP disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 — — 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 (2 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-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 GPR35 3725/4885TRPM4 1799/4885ACLY 4126/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 GPR35 3725/4885TRPM4 1799/4885ACLY 4126/4885

“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