SCHEMBL15041396

SCHEMBL15041396

Cn1nnc(Cn2c(=O)c(Oc3ccccc3F)cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc32)c1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.40
MAPK8 P45983 6/20 0.39
MAP4K1 Q92918 2/20 0.38
PTK2 Q05397 2/20 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
SCHEMBL15035036 0.93 TNK2 (0.36) MAPK8MAP4K1PTK2
SCHEMBL15041361 0.87 MAPK14 (0.38) MAPK14MAPK8MAP4K1PTK2
SCHEMBL15041225 0.83 MAPK14 (0.43) MAPK14MAPK8PTK2
SCHEMBL15041835 0.83 PTK2 (0.42) MAPK14MAPK8PTK2
SCHEMBL15034818 0.81 PTK2 (0.36) MAP4K1PTK2
SCHEMBL15041413 0.80 MAPK14 (0.39) MAPK14MAPK8PTK2
SCHEMBL15041376 0.80 MAPK14 (0.36) MAPK14MAPK8PTK2
SCHEMBL15041220 0.79 FGFR1 (0.42) MAP4K1
SCHEMBL15034930 0.77 PTK2 (0.38) MAPK14MAPK8PTK2
SCHEMBL15041774 0.76 MAPK14 (0.41) MAPK14MAPK8

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-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

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 MAPK14 139/4885MAPK8 14/4885MAP4K1 27/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAPK14 382/4885MAPK8 493/4885MAP4K1 84/4885

“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.