SCHEMBL14682014

SCHEMBL14682014

Cc1cc(C2CCNCC2)ccc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.49
BRD4 O60885 3/20 0.49
JAK3 P52333 2/20 0.49
JAK1 P23458 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
BTK Q06187 1/20 0.48
CDK4 P11802 8/20 0.47
CCND1 P24385 8/20 0.47
FGFR1 P11362 5/20 0.47
FGFR4 P22455 5/20 0.47
CCNA2 P20248 4/20 0.47
FGFR2 P21802 4/20 0.47
FGFR3 P22607 4/20 0.47
CDK2 P24941 4/20 0.47
CAMK2D Q13557 1/20 0.46
KDR P35968 1/20 0.45
WEE1 P30291 3/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL13553699 0.95 CDK4 (0.45) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553629 0.90 CDK4 (0.60) CDK4CCND1FGFR1FGFR4CCNA2
SCHEMBL14682091 0.85 CDK4 (0.41) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553860 0.84 CDK4 (0.40) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553519 0.84 PKN1 (0.57) JAK2BRD4JAK3JAK1BRD2
SCHEMBL14681938 0.81 MAP4K3 (0.46) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15785310 0.80 PAK4 (0.44) JAK2BRD4JAK3CDK4CCND1
SCHEMBL14693003 0.79 JAK2 (0.42) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15281102 0.79 JAK2 (0.44) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553481 0.79 JAK2 (0.43) JAK2BRD4JAK3JAK1BRD2

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-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
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 (1 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 JAK2 505/4885BRD4 418/4885JAK3 783/4885

“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.