SCHEMBL9909691

SCHEMBL9909691

Cc1nc2nccc(C(C)C)c2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.35
DAO P14920 3/20 0.33
AURKA O14965 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
ATAD2 Q6PL18 3/20 0.32
KDM5B Q9UGL1 1/20 0.31
BRD4 O60885 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL12847025 0.83 DAO (0.35) DAOTRPV1GRIA1GRIA2GRIA3
SCHEMBL14330156 0.82 AURKA (0.39) AURKATRPV1
SCHEMBL21791187 0.77 ADORA3 (0.42) AURKA
SCHEMBL14327873 0.76 NUDT1 (0.47) TRPV1
SCHEMBL9909695 0.75 BRAF (0.36) BRAFDAOAURKA
SCHEMBL9909693 0.74 KDM4E (0.39) BRAFDAOPDE3BPDE3A
SCHEMBL9909699 0.73 DAO (0.56) DAOAURKA
SCHEMBL9406899 0.71 ADORA1 (0.42) PDE3BPDE3AKDM5B
SCHEMBL12615886 0.67 BRD4 (0.44) BRAFDAOAURKABRD4
SCHEMBL14765145 0.67 NUDT1 (0.53) DAOAURKAATAD2

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-8198279-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-06-12 US disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 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-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 BRAF 1/4885DAO 2675/4885AURKA 363/4885

“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.