SCHEMBL13553530

SCHEMBL13553530

CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.56
PAK1 Q13153 4/20 0.56
PAK4 O96013 3/20 0.56
PAK3 O75914 3/20 0.56
PAK2 Q13177 3/20 0.56
LIMK1 P53667 1/20 0.56
LIMK2 P53671 1/20 0.56
JAK2 O60674 4/20 0.49
BRD4 O60885 3/20 0.49
FGFR1 P11362 4/20 0.48
EGFR P00533 2/20 0.48
JAK3 P52333 2/20 0.47
PTK2 Q05397 1/20 0.47
WEE1 P30291 1/20 0.46
JAK1 P23458 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45

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
SCHEMBL13553539 0.92 PKN1 (0.52) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553519 0.91 PKN1 (0.57) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553536 0.90 PAK4 (0.51) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553476 0.90 PKN1 (0.64) PKN1PAK1PAK4PAK3PAK2
SCHEMBL14684875 0.90 PAK4 (0.52) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553477 0.88 PAK4 (0.74) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553545 0.88 PAK4 (0.50) PKN1PAK1PAK4PAK3PAK2
SCHEMBL13553522 0.85 PAK1 (0.69) PKN1PAK1PAK4PAK3PAK2
SCHEMBL15035216 0.85 PKN1 (0.62) PKN1PAK1PAK4PAK3PAK2
SCHEMBL14681958 0.84 PAK4 (0.52) PKN1PAK1PAK4PAK3PAK2

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 10 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
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 PKN1 528/4885PAK1 5/4885PAK4 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 PKN1 528/4885PAK1 5/4885PAK4 6/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK1 4/4885PAK4 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 PKN1 182/4885PAK1 2/4885PAK4 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.