SCHEMBL15410285

SCHEMBL15410285

COc1ccc(CN(c2nc(C)n(C)n2)c2nc(S(C)(=O)=O)nn3c(C#N)cnc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR1D1 P20393 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PDE1B Q01064 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ STS P08842 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL15408723 0.85 ALDH1A1 (0.39) SMN1; SMN2NR1D1TSHRALDH1A1PDE2A
SCHEMBL15409223 0.83 ALDH1A1 (0.36) APLNRTP53GAASMN1; SMN2TSHR
SCHEMBL15409446 0.80 APLNR (0.34) APLNRTP53GAASMN1; SMN2ALDH1A1
SCHEMBL15406876 0.80 PDE1B (0.34) APLNRTP53GAASMN1; SMN2TSHR
SCHEMBL15413896 0.69 NOS1 (0.39) GAATSHRALDH1A1MAPK1PDE1B
SCHEMBL15407268 0.69 KDM4E (0.38) APLNRNR1D1TSHRALDH1A1MAPK1
SCHEMBL18786333 0.69 ALDH1A1 (0.38) NR1D1ALDH1A1PDE1BPDE2ACYP19A1
SCHEMBL19281311 0.69 TGFBR1 (0.33) TP53SMN1; SMN2ALDH1A1MAPK1PDE1B
SCHEMBL15406603 0.68 MAPT (0.41) TP53SMN1; SMN2NR1D1TSHRALDH1A1
SCHEMBL13644193 0.68 NR1D1 (0.34) NR1D1TSHRALDH1A1MAPK1PDE1B

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 10 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-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 — — US 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
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 — — US disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 — — US 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 (4 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-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 APLNR 2886/4885TP53 698/4885GAA 3062/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 APLNR 2886/4885TP53 698/4885GAA 3062/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 APLNR 2886/4885TP53 698/4885GAA 3062/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 APLNR 2886/4885TP53 698/4885GAA 3062/4885

“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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