SCHEMBL15036006

SCHEMBL15036006

CN(C)CCSc1cnc(-c2cc3cnc(Nc4ccc(NC5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 7/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ AURKA O14965 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ SRC P12931 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ PKMYT1 Q99640 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PKN1 Q16512 1/20 0.36

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
SCHEMBL14681982 0.76 WEE1 (0.47) TNK2JAK3FGFR1FGFR2WEE1
SCHEMBL15787977 0.74 TNK2 (0.42) TNK2JAK3PAK4PAK1PKN1
SCHEMBL15041687 0.73 JAK3 (0.40) TNK2JAK3AURKACDK1CCNB1
SCHEMBL15787803 0.72 TNK2 (0.40) TNK2WEE1SRC
SCHEMBL15041444 0.71 JAK3 (0.44) TNK2JAK3AURKACDK1CCNB1
SCHEMBL15041685 0.71 WEE1 (0.43) TNK2FGFR1WEE1PAK4PAK1
SCHEMBL14682082 0.71 JAK3 (0.47) TNK2JAK3FGFR1SRCPAK4
SCHEMBL15785220 0.70 PAK4 (0.51) TNK2JAK3WEE1PAK4PAK1
SCHEMBL13553495 0.69 PKN1 (0.51) TNK2JAK3FGFR1WEE1PAK4
SCHEMBL13553921 0.69 TNK2 (0.45) TNK2WEE1PAK4PAK1PKN1

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-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
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 TNK2 14/4885JAK3 460/4885AURKA 1737/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885JAK3 1901/4885AURKA 653/4885

“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.

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