SCHEMBL15035709

SCHEMBL15035709

CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5nccnc5[S+](C)[O-])c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.37
TNK2 Q07912 5/20 0.35
CDK4 P11802 8/20 0.35
CCND1 P24385 8/20 0.35
CCND2 P30279 6/20 0.35
CCND3 P30281 6/20 0.35
CCNA2 P20248 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CDK1 P06493 2/20 0.35
FGFR1 P11362 2/20 0.35
CCNB1 P14635 2/20 0.35
PIK3CD O00329 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
CCNT1 O60563 1/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 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
SCHEMBL15277171 0.83 JAK3 (0.33) JAK3TNK2CDK4CCND1CCND2
SCHEMBL15034955 0.81 JAK3 (0.37) JAK3TNK2CDK4CCND1CCNA2
SCHEMBL15034846 0.80 TNK2 (0.37) JAK3TNK2CDK4CCND1CCNA2
SCHEMBL15035059 0.80 BRAF (0.36) JAK3TNK2CDK4CCND1CCND2
SCHEMBL15035830 0.80 JAK3 (0.37) JAK3CDK4CCND1CCNA2CCNE1
SCHEMBL15035772 0.79 PAK4 (0.40) JAK3TNK2FGFR1PAK4PAK1
SCHEMBL15035471 0.75 CDK4 (0.43) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15035923 0.73 CAMK2D (0.37) JAK3TNK2CDK4CCND1CCNA2
SCHEMBL15035578 0.73 CDK4 (0.39) TNK2CDK4CCND1CCND2CCND3
SCHEMBL15035373 0.72 CDK4 (0.39) TNK2CDK4CCND1CCND2CCND3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 JAK3 525/4885TNK2 28/4885CDK4 441/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885TNK2 7/4885CDK4 404/4885

“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.