SCHEMBL6074595

SCHEMBL6074595

O=C(Nc1ccc2cnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc2n1)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.47
CDK2 P24941 6/20 0.47
CCND1 P24385 6/20 0.47
CCNA2 P20248 4/20 0.47
CDK6 Q00534 3/20 0.47
CDK1 P06493 3/20 0.47
CCNE1 P24864 3/20 0.47
CCNT1 O60563 2/20 0.47
CCND3 P30281 2/20 0.47
CDK9 P50750 2/20 0.47
CDK3 Q00526 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CDK7 P50613 1/20 0.46
AURKB Q96GD4 2/20 0.46
PTK2 Q05397 1/20 0.43
BTK Q06187 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
DYRK2 Q92630 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL6074226 0.88 CDK4 (0.54) CDK4CDK2CCND1CCNA2CDK6
SCHEMBL6073405 0.87 CDK4 (0.54) CDK4CDK2CCND1CCNA2CDK6
SCHEMBL6074165 0.83 CDK4 (0.49) CDK4CDK2CCND1CCNA2CDK6
SCHEMBL6074519 0.82 RAB9A (0.55) AURKBJAK2JAK1JAK3AURKA
SCHEMBL6073553 0.81 EPHX1 (0.56) AURKBJAK2JAK1JAK3AURKA
SCHEMBL6073844 0.80 SYK (0.52) CDK4CDK2CCND1CCNA2CDK6
SCHEMBL6074659 0.80 SYK (0.58) CDK4CDK2CCND1CCNE1CCND3
SCHEMBL6073807 0.80 SYK (0.54) CDK4CDK2CCND1CCNA2CDK6
SCHEMBL6075027 0.79 CA1 (0.56) CDK2CDK1CCNE1CCNT1CDK9
SCHEMBL6074537 0.78 CDK4 (0.51) CDK4CDK2CCND1CCNA2CDK6

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 5 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
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 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 CDK4 19/4885CDK2 5/4885CCND1 79/4885

“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.