SCHEMBL13553583

SCHEMBL13553583

CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.70
▸ PAK1 Q13153 3/20 0.67
▸ PKN1 Q16512 2/20 0.67
▸ PAK4 O96013 1/20 0.67
▸ PAK3 O75914 2/20 0.65
▸ PAK2 Q13177 2/20 0.65
▸ CDK4 P11802 4/20 0.61
▸ CCND1 P24385 3/20 0.61
▸ CCND2 P30279 3/20 0.61
▸ CCND3 P30281 3/20 0.61
▸ FGFR1 P11362 2/20 0.55
▸ FGFR4 P22455 2/20 0.55
▸ SRC P12931 1/20 0.55
▸ FGFR2 P21802 1/20 0.55
▸ FGFR3 P22607 1/20 0.55
▸ AURKA O14965 1/20 0.54
▸ BTK Q06187 1/20 0.53
▸ ACVR1 Q04771 2/20 0.53
▸ RIPK2 O43353 1/20 0.53
▸ NOD2 Q9HC29 1/20 0.53

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
SCHEMBL13554056 0.92 WEE1 (0.70) WEE1PAK1PKN1PAK4PAK3
SCHEMBL10192790 0.92 WEE1 (0.77) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15030203 0.91 PAK1 (0.67) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553596 0.91 PAK1 (0.78) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553562 0.90 WEE1 (0.67) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553998 0.88 WEE1 (0.72) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553588 0.88 WEE1 (0.67) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13554047 0.88 WEE1 (0.69) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553589 0.87 WEE1 (0.68) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13554053 0.87 WEE1 (0.68) WEE1PAK1PKN1PAK4PAK3

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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 — — US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 — — US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 — — US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 — — US disclosed
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 — — 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 (4 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-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 WEE1 850/4885PAK1 5/4885PKN1 528/4885
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 WEE1 850/4885PAK1 5/4885PKN1 528/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885PAK1 4/4885PKN1 326/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 WEE1 368/4885PAK1 2/4885PKN1 182/4885

“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.

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