SCHEMBL15034827

SCHEMBL15034827

CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccsc5C5CCNC5)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.38
WEE1 P30291 2/20 0.37
MAP4K1 Q92918 3/20 0.36
KCNH2 Q12809 1/20 0.36
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
JAK2 O60674 3/20 0.36
BRD4 O60885 3/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
JAK1 P23458 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
PTK2 Q05397 2/20 0.35
FGFR1 P11362 2/20 0.35
STAT6 P42226 1/20 0.35
TNK2 Q07912 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL15035038 0.89 JAK3 (0.39) JAK3WEE1MAP4K1KCNH2PAK4
SCHEMBL15237035 0.84 PTK2 (0.40) JAK3WEE1PAK4PKN1JAK2
SCHEMBL15034782 0.83 WEE1 (0.41) JAK3WEE1MAP4K1KCNH2PAK4
SCHEMBL15035011 0.83 PTK2 (0.41) JAK3WEE1MAP4K1KCNH2PAK4
SCHEMBL15035736 0.82 JAK3 (0.39) JAK3WEE1MAP4K1KCNH2PAK4
SCHEMBL15041347 0.81 JAK3 (0.36) JAK3WEE1MAP4K1KCNH2PAK4
SCHEMBL15035897 0.79 JAK2 (0.40) JAK3WEE1MAP4K1PAK4PKN1
SCHEMBL15277138 0.77 JAK2 (0.41) JAK3WEE1MAP4K1PAK4PKN1
SCHEMBL15041414 0.77 JAK2 (0.39) JAK3WEE1MAP4K1PAK4PKN1
SCHEMBL15034931 0.77 JAK3 (0.39) JAK3WEE1MAP4K1KCNH2PAK4

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 4 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-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
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 JAK3 473/4885WEE1 558/4885MAP4K1 27/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885WEE1 545/4885MAP4K1 84/4885

“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.