SCHEMBL15041284

SCHEMBL15041284

Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1nnnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.44
PAK4 O96013 1/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
PAK1 Q13153 1/20 0.44
PAK2 Q13177 1/20 0.44
PKN1 Q16512 1/20 0.44
TNK2 Q07912 14/20 0.41
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND3 P30281 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
SRC P12931 2/20 0.35
WEE1 P30291 1/20 0.35
CCND2 P30279 1/20 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
SCHEMBL13553859 0.91 PAK3 (0.44) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15036322 0.77 PAK3 (0.43) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041703 0.76 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15617460 0.75 PAK3 (0.49) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL13553832 0.74 PAK1 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041521 0.74 PAK1 (0.53) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL13553884 0.72 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041698 0.72 PAK3 (0.51) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035969 0.72 PAK3 (0.50) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041853 0.69 PAK1 (0.68) PAK3PAK4LIMK1LIMK2PAK1

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 2 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

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK4 5/4885LIMK1 105/4885
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 PAK3 4/4885PAK4 5/4885LIMK1 179/4885

“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.