SCHEMBL15041591

SCHEMBL15041591

CN1CCC(Nc2ccc(Nc3ncc4cc(C#N)c(=O)n(Cc5ccccc5[S+]([O-])CC(F)(F)F)c4n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 3/20 0.43
FGFR1 P11362 2/20 0.43
PIK3CD O00329 1/20 0.43
PRKAB2 O43741 1/20 0.43
CCNT1 O60563 1/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
FLT3 P36888 1/20 0.43
CDK7 P50613 1/20 0.43

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
SCHEMBL15035639 0.93 JAK3 (0.37) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15041626 0.77 NUAK1 (0.41) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15281093 0.76 TNK2 (0.44) CDK4CCND1TNK2PTK2MAP4K1
SCHEMBL15041421 0.74 NUAK1 (0.43) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15041748 0.74 NUAK1 (0.45) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15036337 0.74 TNK2 (0.38) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15041436 0.74 WEE1 (0.42) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15041631 0.73 CAMK2D (0.39) FGFR1CDK4CCNA2CCND1CDK2
SCHEMBL15041766 0.73 NUAK1 (0.44) NUAK1FGFR1PIK3CDPRKAB2CCNT1
SCHEMBL15041740 0.73 NUAK1 (0.44) NUAK1FGFR1PIK3CDPRKAB2CCNT1

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-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

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 NUAK1 1685/4885FGFR1 2209/4885PIK3CD 308/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 NUAK1 492/4885FGFR1 1919/4885PIK3CD 237/4885

“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.