SCHEMBL15036474

SCHEMBL15036474

CN1CCCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5cncn5-c5nccs5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PRKAB2 O43741 1/20 0.37
NUAK1 O60285 1/20 0.37
CCNT1 O60563 1/20 0.37
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
FLT3 P36888 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL15041569 0.79 FGFR1 (0.35) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15617474 0.78 CAMK2D (0.40) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036264 0.76 FGFR1 (0.35) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036452 0.76 CDK4 (0.39) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036185 0.76 TNK2 (0.40) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15041509 0.75 CAMK2D (0.39) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036204 0.74 TNK2 (0.39) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036329 0.74 FGFR1 (0.45) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15036306 0.74 CDK2 (0.46) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL15258260 0.73 CAMK2D (0.38) PIK3CDPRKAB2NUAK1CCNT1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 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-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PIK3CD 227/4885PRKAB2 593/4885NUAK1 1612/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PIK3CD 237/4885PRKAB2 172/4885NUAK1 492/4885

“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.