SCHEMBL15041529

SCHEMBL15041529

O=c1c(-c2c(Cl)cc([S+]([O-])C3CCOCC3)cc2Cl)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.41
FGFR1 P11362 7/20 0.41
EGFR P00533 3/20 0.41
PAK1 Q13153 3/20 0.41
PAK4 O96013 2/20 0.41
PKN1 Q16512 2/20 0.41
PAK2 Q13177 2/20 0.41
PAK3 O75914 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
PDGFRB P09619 2/20 0.41
SRC P12931 2/20 0.41
PDGFRA P16234 2/20 0.41
SLC2A1 P11166 1/20 0.41
PKMYT1 Q99640 1/20 0.41
MAPK14 Q16539 2/20 0.40
LCK P06239 1/20 0.40
TNK2 Q07912 4/20 0.39
ABL1 P00519 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL15041675 0.74 WEE1 (0.52) WEE1FGFR1EGFRPAK1PAK4
SCHEMBL14682062 0.74 PAK1 (0.49) WEE1PAK1PAK4PKN1PAK2
SCHEMBL15036052 0.73 WEE1 (0.51) WEE1FGFR1EGFRPAK1PAK4
SCHEMBL15041860 0.72 TNK2 (0.39) FGFR1SRCTNK2
SCHEMBL15041532 0.72 TNK2 (0.43) WEE1PAK1PAK4PKN1PAK2
SCHEMBL13553662 0.72 PKN1 (0.47) WEE1FGFR1EGFRPAK1PAK4
SCHEMBL15041272 0.72 PKN1 (0.47) WEE1FGFR1EGFRPAK1PAK4
SCHEMBL13553814 0.72 PKN1 (0.42) FGFR1PAK1PAK4PKN1PAK2
SCHEMBL15041859 0.71 CAMK2D (0.44) WEE1PAK1PAK4PKN1PAK2
SCHEMBL15036372 0.71 CDK4 (0.42) FGFR1PDGFRBABL1

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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 WEE1 1354/4885FGFR1 1720/4885EGFR 2713/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885FGFR1 1919/4885EGFR 737/4885

“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.