SCHEMBL5514474

SCHEMBL5514474

CNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.65
IGF1R P08069 6/20 0.60
CCNK O75909 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CCND3 P30281 1/20 0.57
CDK9 P50750 1/20 0.57
CDK6 Q00534 1/20 0.57
JAK2 O60674 1/20 0.54
LRRK2 Q5S007 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT6 P42226 1/20 0.54
PLK4 O00444 1/20 0.54
PKMYT1 Q99640 2/20 0.53
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
BRD4 O60885 1/20 0.53
PDGFRB P09619 1/20 0.53

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
SCHEMBL12065029 0.88 ALK (0.63) SYKCCNKCCNA2CDK2CCND3
SCHEMBL12064886 0.87 SYK (0.61) SYKIGF1RCCNKCCNA2CDK2
SCHEMBL5514476 0.83 SYK (0.70) SYKJAK2AURKAAURKB
SCHEMBL14001918 0.82 SYK (0.69) SYKJAK2AURKAAURKB
SCHEMBL5418565 0.81 SYK (0.58) SYKIGF1RCCNKCCNA2CDK2
SCHEMBL29777450 0.80 SYK (0.60) SYKIGF1RCCNKCCNA2CDK2
SCHEMBL657421 0.79 SYK (1.00) SYKIGF1RCCNKCCNA2CDK2
SCHEMBL11346255 0.78 IGF1R (0.69) SYKIGF1RTP53MAPTMAPK1
SCHEMBL18830272 0.78 MAPT (0.58) SYKIGF1RCCNKCCNA2CDK2
SCHEMBL13300755 0.78 CCNA2 (0.77) IGF1RCCNKCCNA2CDK2CCND3

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
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
CN-1373763-A Pteridinones and kinase inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 SYK 1655/4885IGF1R 145/4885CCNK 2/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 SYK 521/4885IGF1R 219/4885CCNK 2/4885

“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.