SCHEMBL15035265

SCHEMBL15035265

O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1CNc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.57
PAK4 O96013 1/20 0.57
LIMK1 P53667 1/20 0.57
LIMK2 P53671 1/20 0.57
PAK1 Q13153 1/20 0.57
PAK2 Q13177 1/20 0.57
PKN1 Q16512 1/20 0.57
WEE1 P30291 1/20 0.48
CDK4 P11802 7/20 0.47
CCND1 P24385 7/20 0.47
CDK2 P24941 5/20 0.47
CCNA2 P20248 3/20 0.47
TNK2 Q07912 10/20 0.46
CCND3 P30281 3/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
CCND2 P30279 2/20 0.43
JAK2 O60674 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL15035262 0.88 PAK3 (0.56) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035266 0.87 PAK3 (0.56) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035267 0.87 PAK3 (0.58) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035277 0.83 FGFR1 (0.58) PAK3PAK4PAK1PAK2PKN1
SCHEMBL15035260 0.82 PAK3 (0.57) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035257 0.82 CDK4 (0.42) WEE1CDK4CCND1CDK2CCNA2
SCHEMBL15035258 0.79 PAK3 (0.57) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL10192640 0.78 CDK4 (0.59) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035561 0.78 WEE1 (0.44) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL16510433 0.77 PAK1 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2011156775-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 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 (1 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

“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.