SCHEMBL15413754

SCHEMBL15413754

N#Cc1cc(NC(=O)CNCCO)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.42
▸ GPR35 Q9HC97 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ KAT2B Q92831 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ CA1 P00915 1/20 0.33

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
SCHEMBL15413605 0.82 VCAM1 (0.57) VCAM1GPR35RAB9AKAT2BLMNA
SCHEMBL15414664 0.79 VCAM1 (0.48) VCAM1KDM4EGPR35LMNAALDH1A1
SCHEMBL645653 0.71 VCAM1 (1.00) VCAM1GPR35KAT2BMERTKALDH1A1
SCHEMBL6439833 0.70 GPR35 (0.63) VCAM1KDM4EGPR35LMNAALDH1A1
SCHEMBL7575461 0.67 VCAM1 (0.77) VCAM1KDM4EGPR35LMNAMERTK
SCHEMBL29519350 0.66 KAT2B (0.70) VCAM1RAB9AKAT2BLMNAMERTK
SCHEMBL112161 0.66 KAT2B (0.70) VCAM1RAB9AKAT2BLMNAMERTK
SCHEMBL7371227 0.66 RAB9A (0.61) VCAM1RAB9AKAT2BLMNAMERTK
SCHEMBL14001623 0.65 KAT2B (0.51) VCAM1RAB9AKAT2BLMNAMERTK
SCHEMBL15413621 0.65 GPR35 (0.46) GPR35

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 VCAM1 4191/4885KDM4E 1037/4885GPR35 3725/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 VCAM1 4191/4885KDM4E 1037/4885GPR35 3725/4885

“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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