SCHEMBL13553602

SCHEMBL13553602

CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 6/20 0.81
▸ PKN1 Q16512 5/20 0.81
▸ PAK4 O96013 4/20 0.81
▸ WEE1 P30291 1/20 0.72
▸ PAK2 Q13177 4/20 0.71
▸ PAK3 O75914 3/20 0.71
▸ FGFR1 P11362 4/20 0.59
▸ SRC P12931 4/20 0.59
▸ FGFR2 P21802 1/20 0.59
▸ FGFR4 P22455 1/20 0.59
▸ FGFR3 P22607 1/20 0.59
▸ CDK4 P11802 2/20 0.59
▸ CCND1 P24385 2/20 0.59
▸ CCND2 P30279 2/20 0.59
▸ CCND3 P30281 2/20 0.59
▸ LIMK1 P53667 1/20 0.54
▸ LIMK2 P53671 1/20 0.54
▸ TNK2 Q07912 6/20 0.53
▸ EGFR P00533 2/20 0.51
▸ PDGFRB P09619 1/20 0.51

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
SCHEMBL13553470 0.98 PAK1 (0.81) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553474 0.96 PAK1 (0.78) PAK1PKN1PAK4WEE1PAK2
SCHEMBL15787964 0.95 PAK1 (0.76) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553531 0.93 PKN1 (0.76) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553471 0.92 PAK1 (0.78) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553610 0.91 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553528 0.91 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553522 0.91 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553501 0.90 PAK1 (0.74) PAK1PKN1PAK4WEE1PAK2
SCHEMBL13553604 0.89 WEE1 (0.69) PAK1PKN1PAK4WEE1PAK2

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 11 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-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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 — — US disclosed
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 — — WO 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-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-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
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 PAK1 5/4885PKN1 528/4885PAK4 6/4885
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 PAK1 5/4885PKN1 528/4885PAK4 6/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK1 4/4885PKN1 326/4885PAK4 5/4885
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 PAK1 2/4885PKN1 182/4885PAK4 5/4885

“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.

Send feedback