SCHEMBL15414664

SCHEMBL15414664

CN(CCO)CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.48
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR35 Q9HC97 2/20 0.39
▸ PTBP1 P26599 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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 0.79 VCAM1 (0.57) VCAM1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL15413754 0.79 VCAM1 (0.51) VCAM1LMNAALDH1A1KDM4EKMT2A
SCHEMBL28603297 0.71 ALDH1A1 (0.40) LMNAALDH1A1KDM4EKMT2APOLB
SCHEMBL30087787 0.71 ALDH1A1 (0.40) LMNAALDH1A1KDM4EKMT2APOLB
SCHEMBL30087782 0.71 ALDH1A1 (0.40) LMNAALDH1A1KDM4EKMT2APOLB
SCHEMBL645653 0.69 VCAM1 (1.00) VCAM1ALDH1A1MAPTMAPK1TDP1
SCHEMBL6439833 0.68 GPR35 (0.63) VCAM1LMNAALDH1A1MAPTKDM4E
SCHEMBL28309027 0.65 LMNA (0.62) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL7575461 0.65 VCAM1 (0.77) VCAM1LMNAALDH1A1MAPTKDM4E
SCHEMBL9495180 0.64 GPR35 (0.58) LMNAALDH1A1SMN1; SMN2KMT2AHTT

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 4191/4885LMNA 2027/4885ALDH1A1 2258/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 VCAM1 4191/4885LMNA 2027/4885ALDH1A1 2258/4885

“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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