SCHEMBL15034830

SCHEMBL15034830

C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2cnnn2-c2nccs2)c1=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.35
JAK3 P52333 13/20 0.35
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
FGFR1 P11362 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA2 P20248 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL15041184 0.93 CDK4 (0.36) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15035045 0.83 JAK3 (0.35) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15034944 0.81 JAK3 (0.35) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15277140 0.80 JAK3 (0.35) WEE1JAK3CDK4CCND1FGFR1
SCHEMBL15035818 0.79 JAK3 (0.37) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15035904 0.77 JAK3 (0.36) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15041431 0.76 CDK4 (0.36) JAK3CDK4CCND1CCND3CCNT1
SCHEMBL15041759 0.74 CDK4 (0.36) WEE1JAK3CDK4CCND1CCND3
SCHEMBL15280220 0.73 JAK3 (0.37) JAK3CDK4CCND1FGFR1CCNT1
SCHEMBL15034792 0.73 CDK4 (0.37) WEE1JAK3CDK4CCND1CCND2

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 WEE1 558/4885JAK3 473/4885CDK4 408/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885JAK3 1901/4885CDK4 404/4885

“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.