SCHEMBL14682001

SCHEMBL14682001

Cc1nc(-c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.47
NOD2 Q9HC29 7/20 0.47
ACVR1 Q04771 6/20 0.47
TNK2 Q07912 4/20 0.43
CAMK2D Q13557 1/20 0.43
PAK4 O96013 2/20 0.42
PKN1 Q16512 2/20 0.42
SRC P12931 1/20 0.42
WEE1 P30291 1/20 0.40
AXL P30530 3/20 0.40
PAK1 Q13153 1/20 0.40

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
SCHEMBL15787914 0.95 RIPK2 (0.43) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL15035101 0.89 RIPK2 (0.46) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL15041266 0.84 RIPK2 (0.42) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL15036122 0.82 RIPK2 (0.47) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15041707 0.78 RIPK2 (0.43) RIPK2NOD2ACVR1TNK2WEE1
SCHEMBL15041506 0.78 RIPK2 (0.42) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL15036025 0.76 FGFR1 (0.41) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL14682102 0.76 TNK2 (0.40) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL15041286 0.75 TNK2 (0.40) RIPK2NOD2ACVR1TNK2CAMK2D
SCHEMBL13553932 0.75 PAK4 (0.54) TNK2PAK4PKN1SRC

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-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 RIPK2 1295/4885NOD2 4077/4885ACVR1 4838/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 RIPK2 1649/4885NOD2 4379/4885ACVR1 4648/4885

“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.