SCHEMBL15414938

SCHEMBL15414938

CC1(C)OB(c2cc(C#N)cc(NC(=O)O)c2Cl)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.48
HIF1A Q16665 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LIPE Q05469 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL25427514 0.82 KMT2A (0.39) GPR35HIF1AKMT2AMEN1CYP1A2
SCHEMBL13868337 0.77 VCAM1 (0.31)
SCHEMBL8219634 0.73 LIPE (0.37) GPR35HIF1ALIPE
SCHEMBL9994934 0.73 DYRK1A (0.40) KMT2AMEN1LIPECYP2C19PDK1
SCHEMBL1053651 0.72 LIPE (0.49) HIF1AKMT2AMEN1LIPE
SCHEMBL1061781 0.72 POLB (0.40) KMT2AMEN1LIPE
SCHEMBL11946654 0.71 GPR35 (0.90) GPR35
SCHEMBL15408019 0.71 GPR35 (0.59) GPR35KMT2AMEN1
SCHEMBL13868346 0.70 ESR2 (0.33)
SCHEMBL17770661 0.69 CXCR2 (0.34) GPR35HIF1ALIPE

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 3725/4885HIF1A 1806/4885KMT2A 901/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 GPR35 3725/4885HIF1A 1806/4885KMT2A 901/4885

“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.