SCHEMBL15413827

SCHEMBL15413827

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 6/20 0.54
▸ LRRK2 Q5S007 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TRPM4 Q8TD43 1/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TMPRSS4 Q9NRS4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL15413767 0.83 GPR35 (0.51) GPR35ACLYKMT2AMEN1TRPM4
SCHEMBL15414134 0.81 GPR35 (0.49) GPR35ACLYKMT2AMEN1TRPM4
SCHEMBL11946654 0.76 GPR35 (0.90) GPR35LMNAMAPTTSHRHTT
SCHEMBL15408019 0.76 GPR35 (0.59) GPR35KMT2AMEN1TRPM4LMNA
SCHEMBL15408016 0.75 GPR35 (0.55) GPR35ACLYKMT2AMEN1TRPM4
SCHEMBL15413595 0.72 GPR35 (0.51) GPR35KMT2AMEN1TRPM4CYP1A2
SCHEMBL15413875 0.72 TTR (0.37) GPR35CYP3A4
SCHEMBL16564231 0.71 GPR35 (0.45) GPR35KMT2AMEN1CYP1A2CYP3A4
SCHEMBL15409009 0.70 GPR35 (0.49) GPR35TRPM4PDK1PDK2PDK3
SCHEMBL15414374 0.70 GPR35 (0.49) GPR35KMT2AMEN1TRPM4CYP1A2

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 3725/4885LRRK2 1111/4885ACLY 4126/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 GPR35 3725/4885LRRK2 1111/4885ACLY 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.

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