SCHEMBL6073526

SCHEMBL6073526

CSc1ncc2cc(C)c(N)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.42
HASPIN Q8TF76 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
AKT1 P31749 6/20 0.34
AKT2 P31751 6/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SRC P12931 1/20 0.32
HTT P42858 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL16682364 0.82 HASPIN (0.35) HASPINAKT1AKT2MEN1KMT2A
SCHEMBL6073344 0.81 FGFR1 (0.40) FGFR1HASPINAKT1AKT2MEN1
SCHEMBL6073568 0.81 HASPIN (0.38) FGFR1HASPINAKT1AKT2MEN1
SCHEMBL3293161 0.81 MEN1 (0.41) FGFR1HASPINAKT1AKT2MEN1
SCHEMBL29742257 0.81 FGFR1 (0.40) FGFR1HASPINAKT1AKT2MEN1
SCHEMBL30837298 0.78 HASPIN (0.36) FGFR1HASPINAKT1AKT2
SCHEMBL5314141 0.77 HSP90AB1 (0.39) HASPINNOS3NOS1NOS2MEN1
SCHEMBL6073897 0.73 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HTT
SCHEMBL15263601 0.72 HPGD (0.37) HASPINAKT1AKT2MEN1KMT2A
SCHEMBL16683500 0.72 MEN1 (0.35) HASPINAKT1AKT2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 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 (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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 FGFR1 280/4885HASPIN 3207/4885NOS3 435/4885

“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.