SCHEMBL19295485

SCHEMBL19295485

Nc1cc(OCC2CCCCCCCC2)c2nn[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.54
▸ MCHR1 Q99705 3/20 0.47
▸ CDK1 P06493 3/20 0.39
▸ CCNA2 P20248 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ CCNB2 O95067 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ MAP4K3 Q8IVH8 2/20 0.38
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36

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
SCHEMBL19295486 1.00 CDK2 (0.54) CDK2MCHR1CDK1CCNA2CCNA1
SCHEMBL18620064 1.00 CDK2 (0.54) CDK2MCHR1CDK1CCNA2CCNA1
SCHEMBL17596340 0.83 CDK2 (0.38) CDK2MCHR1
SCHEMBL18621562 0.83 CDK2 (0.38) CDK2MCHR1NOS3NOS1
SCHEMBL18585326 0.81 CDK2 (0.38) CDK2MCHR1NOS3NOS1
SCHEMBL18621755 0.79 CDK2 (0.37) CDK2MCHR1
SCHEMBL18617784 0.77 PNP (0.40) CDK2MCHR1
SCHEMBL18617484 0.77 PNP (0.40) CDK2MCHR1
SCHEMBL18617524 0.77 PNP (0.40) CDK2MCHR1
SCHEMBL18618906 0.77 PNP (0.40) CDK2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US 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 (1 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CDK2 2124/4885MCHR1 2930/4885CDK1 1380/4885

“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.

Send feedback