SCHEMBL15041665

SCHEMBL15041665

CN1CCCC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)c6cncs6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.37
PAK3 O75914 2/20 0.35
PAK1 Q13153 2/20 0.35
PAK2 Q13177 2/20 0.35
PKN1 Q16512 2/20 0.35
CCNT1 O60563 5/20 0.35
CDK1 P06493 5/20 0.35
CDK4 P11802 5/20 0.35
CCNA2 P20248 5/20 0.35
CCND1 P24385 5/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CDK7 P50613 5/20 0.35
CDK9 P50750 5/20 0.35
CDK6 Q00534 5/20 0.35
CDK5R1 Q15078 5/20 0.35
PIK3CD O00329 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
ABL1 P00519 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
SCHEMBL15041861 0.80 MAP4K1 (0.39) PKN1CCNT1CDK1CDK4CCNA2
SCHEMBL15041854 0.78 GCK (0.44) ACVR1CCNT1CDK1CDK4CCNA2
SCHEMBL13553882 0.77 CDK4 (0.41) PAK1PKN1CCNT1CDK1CDK4
SCHEMBL15041528 0.75 STK3 (0.40) ACVR1PAK1PKN1CCNT1CDK1
SCHEMBL15041662 0.74 PKN1 (0.43) ACVR1PAK3PAK1PAK2PKN1
SCHEMBL13553735 0.74 PTK2 (0.40) ACVR1PAK3PAK1PAK2PKN1
SCHEMBL15785315 0.74 PAK4 (0.42) PKN1TNK2MAP4K1PAK4WEE1
SCHEMBL14682036 0.73 MAP4K1 (0.41) PKN1CCNT1CDK1CDK4CCNA2
SCHEMBL15785269 0.72 TNK2 (0.41) PAK1PKN1CCNT1CDK1CDK4
SCHEMBL15041699 0.72 AURKA (0.43) ACVR1PAK1PKN1CDK1PDGFRB

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 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 (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 ACVR1 4752/4885PAK3 6/4885PAK1 4/4885

“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.