SCHEMBL14682000

SCHEMBL14682000

CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)nc5)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.42
ACVR1 Q04771 2/20 0.42
NOD2 Q9HC29 2/20 0.42
TNK2 Q07912 8/20 0.42
SRC P12931 1/20 0.41
CAMK2D Q13557 1/20 0.40
PKN1 Q16512 2/20 0.39
PAK4 O96013 1/20 0.39
BRAF P15056 1/20 0.39
WEE1 P30291 1/20 0.39
AVPR1B P47901 1/20 0.38
FGFR1 P11362 1/20 0.38
PAK3 O75914 1/20 0.38
PAK1 Q13153 1/20 0.38
PAK2 Q13177 1/20 0.38

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
SCHEMBL15035102 0.91 TNK2 (0.42) TNK2SRCPKN1PAK4
SCHEMBL13553669 0.85 TNK2 (0.47) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15036085 0.79 JAK3 (0.41) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15036024 0.78 TNK2 (0.48) TNK2SRCPKN1PAK4WEE1
SCHEMBL15041508 0.78 TNK2 (0.48) TNK2SRCPKN1PAK4WEE1
SCHEMBL14681946 0.78 TNK2 (0.39) TNK2SRCCAMK2DPKN1PAK4
SCHEMBL13553499 0.76 FGFR1 (0.38) TNK2SRCCAMK2DPKN1PAK4
SCHEMBL15041707 0.75 RIPK2 (0.43) RIPK2ACVR1NOD2TNK2WEE1
SCHEMBL15041482 0.75 TNK2 (0.42) TNK2SRCPKN1PAK4
SCHEMBL15785355 0.75 TNK2 (0.41) RIPK2ACVR1NOD2TNK2SRC

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 1 patent. 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

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 RIPK2 1295/4885ACVR1 4838/4885NOD2 4077/4885

“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.