SCHEMBL15041469

SCHEMBL15041469

O=c1c(-c2ccc(S(=O)(=O)c3ccccc3)cn2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.40
CCND3 P30281 5/20 0.40
PIM1 P11309 3/20 0.40
GSK3B P49841 3/20 0.40
CDK2 P24941 7/20 0.39
CCNA2 P20248 6/20 0.39
CCNA1 P78396 6/20 0.39
PAK3 O75914 1/20 0.39
PAK4 O96013 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
PKN1 Q16512 1/20 0.39
BRD4 O60885 4/20 0.38
MTOR P42345 3/20 0.38
AURKA O14965 1/20 0.38
CCNK O75909 1/20 0.38
SLC2A1 P11166 1/20 0.38
CDK12 Q9NYV4 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
SCHEMBL14693034 0.83 CCNA2 (0.44) CDK4CCND3PIM1GSK3BCDK2
SCHEMBL15041889 0.73 PAK3 (0.56) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL14681941 0.72 CDK4 (0.49) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL15041866 0.72 CDK4 (0.42) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL15036079 0.72 PAK1 (0.49) CDK4CCND3PAK3PAK4LIMK1
SCHEMBL15036136 0.71 CDK4 (0.45) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL15041449 0.71 TNK2 (0.41) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL14682114 0.70 PAK3 (0.47) CDK4CCND3CDK2CCNA2CCNA1
SCHEMBL13553798 0.70 TNK2 (0.44) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15036295 0.70 PAK3 (0.40) CDK4CCND3PIM1GSK3BCDK2

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 CDK4 471/4885CCND3 3756/4885PIM1 591/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND3 2451/4885PIM1 544/4885

“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.