SCHEMBL6074554

SCHEMBL6074554

O=C(NCCO)Nc1nc2nc(Nc3ccncc3)ncc2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
BRAF P15056 8/20 0.38
RAF1 P04049 3/20 0.38
KRAS P01116 2/20 0.38
KDR P35968 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK13 O15264 1/20 0.37
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
ARAF P10398 1/20 0.37
SRC P12931 1/20 0.37
EPHA2 P29317 1/20 0.37
CSK P41240 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
IRAK1 P51617 1/20 0.37

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
SCHEMBL6073648 0.89 FGFR1 (0.44) CCNT1CCNE1CDK2CDK9BRAF
SCHEMBL6073910 0.82 FGFR1 (0.50) KDRSRCFGFR1EGFR
SCHEMBL6073788 0.81 PIK3CA (0.42) BRAFRAF1GSK3AGSK3BMAPK8
SCHEMBL6073792 0.81 ALK (0.53) SYKEGFR
SCHEMBL6073427 0.79 EPHX1 (0.52) FGFR1AURKAEGFR
SCHEMBL6074254 0.75 MAPK1 (0.43) BRAFMAPK14SYK
SCHEMBL6073764 0.74 PIK3CA (0.53) MAPK8MAPK9MAPK10MAPK14AURKA
SCHEMBL6073559 0.72 CDK4 (0.49) CDK2MAPK8MAPK9MAPK10FGFR1
SCHEMBL6074196 0.71 SYK (0.55) SYKEGFR
SCHEMBL6074500 0.69 PIK3CA (0.55) MAPK8MAPK9MAPK10MAPK14

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 8 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 claimed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US claimed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP claimed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO claimed
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 CCNT1 78/4885CCNE1 93/4885CDK2 5/4885

“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.