SCHEMBL4807969

SCHEMBL4807969

CNc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1-c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 1/20 0.52
SYK P43405 3/20 0.47
CDK2 P24941 3/20 0.46
CDK9 P50750 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNE1 P24864 2/20 0.46
NEK2 P51955 1/20 0.44
GAK O14976 1/20 0.43
KDR P35968 5/20 0.42
JAK2 O60674 5/20 0.42
JAK1 P23458 3/20 0.42
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
JAK3 P52333 2/20 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
SCHEMBL4818238 0.88 MAP4K1 (0.45) PKMYT1SYKCDK2KDRJAK2
SCHEMBL588382 0.84 PKMYT1 (0.49) PKMYT1SYKCDK2CDK9CCNT1
SCHEMBL589236 0.81 PKMYT1 (0.47) PKMYT1CDK2CDK9CCNT1CCNE1
SCHEMBL588644 0.81 PKMYT1 (0.47) PKMYT1CDK2CDK9CCNT1CCNE1
SCHEMBL4811690 0.79 PKMYT1 (0.67) PKMYT1SYKCDK2NEK2KDR
SCHEMBL10187811 0.74 SYK (0.59) SYKCDK2CDK9CCNT1CCNE1
SCHEMBL6624292 0.74 GHSR (0.39) EGFR
SCHEMBL30515513 0.73 MAP3K5 (0.59) PKMYT1CDK2CDK9CCNT1CCNE1
SCHEMBL15939450 0.73 KDR (0.55) PKMYT1CDK2CDK9CCNT1CCNE1
SCHEMBL13980535 0.71 KDR (0.76) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459455-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-04-21 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-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors TIE1, TEK, KDR PKMYT1 2374/4885SYK 1832/4885CDK2 21/4885

“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.