SCHEMBL14682004

SCHEMBL14682004

CN(C)CCn1c(=O)c(-c2ccccc2-c2cnoc2)cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.46
ACVR1 Q04771 5/20 0.46
NOD2 Q9HC29 5/20 0.46
TNK2 Q07912 11/20 0.45
SRC P12931 1/20 0.45
FGFR1 P11362 2/20 0.42
PAK4 O96013 1/20 0.41
PKN1 Q16512 1/20 0.41

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
SCHEMBL15785297 0.86 TNK2 (0.43) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL13553683 0.82 SRC (0.40) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15041858 0.78 TNK2 (0.41) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15785359 0.76 RIPK2 (0.39) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15036050 0.75 TNK2 (0.48) TNK2SRC
SCHEMBL15035671 0.74 TNK2 (0.49) TNK2SRCPAK4PKN1
SCHEMBL14682001 0.74 RIPK2 (0.47) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15036122 0.74 RIPK2 (0.47) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15035101 0.73 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15035028 0.73 TNK2 (0.48) TNK2SRCPAK4PKN1

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-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
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 (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 1295/4885ACVR1 4838/4885NOD2 4077/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.