SCHEMBL15034909

SCHEMBL15034909

CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5nccn5C5CCNC5)c4n3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
TNK2 Q07912 4/20 0.36
CDK4 P11802 8/20 0.36
CCND1 P24385 6/20 0.36
WEE1 P30291 2/20 0.36
AURKA O14965 2/20 0.35
CDK1 P06493 2/20 0.35
PDGFRB P09619 2/20 0.35
CDK7 P50613 2/20 0.35
INSR P06213 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
NTRK2 Q16620 1/20 0.35
FGFR1 P11362 5/20 0.35
JAK2 O60674 1/20 0.35
BRD4 O60885 1/20 0.35
CCNA2 P20248 5/20 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
SCHEMBL15035011 0.79 PTK2 (0.41) WEE1JAK2BRD4JAK3
SCHEMBL15034782 0.78 WEE1 (0.41) WEE1JAK2BRD4JAK3
SCHEMBL15034976 0.77 MAPK14 (0.40) EGFRTNK2WEE1FGFR1JAK3
SCHEMBL15034800 0.76 TNK2 (0.39) EGFRTNK2WEE1FGFR1JAK3
SCHEMBL15041239 0.76 TNK2 (0.38) EGFRTNK2WEE1JAK3
SCHEMBL15041343 0.76 TNK2 (0.38) EGFRTNK2WEE1FGFR1JAK3
SCHEMBL15277167 0.75 TNK2 (0.39) EGFRTNK2SRCFGFR1JAK3
SCHEMBL15035038 0.75 JAK3 (0.39) CDK4CCND1WEE1FGFR1JAK2
SCHEMBL15035669 0.75 FGFR1 (0.36) EGFRTNK2CDK4CCND1WEE1
SCHEMBL15035797 0.75 TNK2 (0.38) EGFRTNK2CDK4CCND1FGFR1

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 EGFR 2355/4885TNK2 10/4885CDK4 408/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 EGFR 737/4885TNK2 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.