SCHEMBL15414003

SCHEMBL15414003

N#Cc1cc(CCC(=O)CO)c(Cl)c(NC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 6/20 0.49
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ TRPM4 Q8TD43 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15414126 0.81 GPR35 (0.50) GPR35TRPM4MEN1KMT2A
SCHEMBL15413767 0.74 GPR35 (0.51) GPR35TRPM4MEN1KMT2A
SCHEMBL15413622 0.73 GPR35 (0.47) GPR35
SCHEMBL15413942 0.73 GPR35 (0.45) GPR35KMT2A
SCHEMBL15408019 0.72 GPR35 (0.59) GPR35TRPM4MEN1KMT2A
SCHEMBL11946654 0.72 GPR35 (0.90) GPR35
SCHEMBL15414134 0.72 GPR35 (0.49) GPR35TRPM4MEN1KMT2A
SCHEMBL6439833 0.71 GPR35 (0.63) GPR35TRPM4MEN1KMT2A
SCHEMBL15413595 0.71 GPR35 (0.51) GPR35TRPM4MEN1KMT2A
SCHEMBL15409259 0.71 GPR35 (0.45) GPR35MEN1KMT2A

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 3725/4885CSNK2A2 109/4885CSNK2A1 61/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 GPR35 3725/4885CSNK2A2 109/4885CSNK2A1 61/4885

“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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