SCHEMBL6493178

SCHEMBL6493178

CCC(CO)Nc1ncc2ncc(=O)[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
JAK1 P23458 1/20 0.37
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
CDK1 P06493 3/20 0.36
KCNH3 Q9ULD8 1/20 0.36
FYN P06241 2/20 0.34
CDK2 P24941 7/20 0.34
CDK5 Q00535 5/20 0.34
DYRK1A Q13627 5/20 0.34
CDK5R1 Q15078 5/20 0.34
CCNA2 P20248 4/20 0.34
CCNA1 P78396 3/20 0.34
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
SYK P43405 1/20 0.34
CCNB1 P14635 2/20 0.34

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
SCHEMBL6357736 0.85 CXCR2 (0.42) CDK4CCND1CDK1KCNH3CDK2
SCHEMBL22630554 0.79 KCNH3 (0.38) CDK4CCND1JAK2JAK3JAK1
SCHEMBL20257916 0.79 KCNH3 (0.38) CDK4CCND1JAK2JAK3JAK1
SCHEMBL25273885 0.75 ALDH1A1 (0.38)
SCHEMBL10550427 0.71 SYK (0.33) CDK4CCND1JAK2JAK3JAK1
SCHEMBL16824371 0.68 HCAR3 (0.55) CDK4CCND1KCNH3CDK2CDK5
SCHEMBL30141680 0.68 MAT2A (0.37) JAK2JAK3
SCHEMBL25462879 0.68 ALDH1A1 (0.40) JAK1CDK1CDK5CDK5R1CCNB1
SCHEMBL29985137 0.68 CDK4 (0.36) CDK4CDK2
SCHEMBL23993147 0.67 CDK2 (0.58) CDK4CCND1CDK1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 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-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CDK4 258/4885CCND1 359/4885JAK2 1691/4885

“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.