SCHEMBL14824801

SCHEMBL14824801

CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 8/20 0.85
PAK2 Q13177 5/20 0.85
PKN1 Q16512 5/20 0.85
PAK3 O75914 3/20 0.85
PAK4 O96013 4/20 0.64
LIMK1 P53667 1/20 0.61
LIMK2 P53671 1/20 0.61
WEE1 P30291 1/20 0.57
FGFR1 P11362 5/20 0.49
EGFR P00533 2/20 0.49
CDK4 P11802 5/20 0.48
CCND1 P24385 5/20 0.48
CCNA2 P20248 4/20 0.48
CDK2 P24941 4/20 0.48
FGFR2 P21802 3/20 0.48
FGFR4 P22455 3/20 0.48
FGFR3 P22607 3/20 0.48
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
STK4 Q13043 1/20 0.46

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
SCHEMBL29384408 0.92 PAK1 (1.00) PAK1PAK2PKN1PAK3PAK4
SCHEMBL13554062 0.92 PAK1 (1.00) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14824805 0.92 PAK1 (0.89) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14681960 0.91 PAK1 (0.71) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14681933 0.90 PAK1 (0.85) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14681932 0.90 PAK1 (0.78) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14693006 0.89 PAK1 (0.84) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14824790 0.89 PAK1 (0.68) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14824780 0.89 PAK1 (0.68) PAK1PAK2PKN1PAK3PAK4
SCHEMBL14684815 0.88 PAK1 (0.67) PAK1PAK2PKN1PAK3PAK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065251-B2 PAK1 inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2021-07-20 US disclosed
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2020-10-15 US disclosed
WO-2017192228-A1 PAK1 INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-09 WO 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-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
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO 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-11065251-B2 PAK1 inhibitors and uses thereof PAK1, CDC42, CDC42BPG PAK1 1/4885PAK2 7/4885PKN1 783/4885
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF PAK1, CDC42, CDC42BPG PAK1 1/4885PAK2 7/4885PKN1 783/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK1 4/4885PAK2 2/4885PKN1 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 PAK1 2/4885PAK2 1/4885PKN1 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.