SCHEMBL24697496

SCHEMBL24697496

COc1ccnc2[nH]c(=O)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.43
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK14 Q16539 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 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
SCHEMBL22919870 0.81 BRAF (0.48) BRAFALDH1A1
Hydrochloric Acid SCHEMBL29396919 0.80 BRAF (0.47) BRAFALDH1A1
SCHEMBL9909763 0.78 BRAF (0.53) BRAFHCKSRCMAPK12MAPK14
SCHEMBL12523091 0.77 KDM4E (0.42) BRAFKDM4EALDH1A1LMNAGLA
SCHEMBL28698609 0.76 BRAF (0.55) BRAFHCKSRCMAPK12MAPK14
SCHEMBL12455757 0.76 BRAF (0.52) BRAFKDM4EALDH1A1LMNAGLA
SCHEMBL14764399 0.74 BRAF (0.45) BRAFBRD4KDM4EALDH1A1LMNA
SCHEMBL29396654 0.74 MEN1 (0.43) BRAFKDM4EALDH1A1LMNAGLA
SCHEMBL15887746 0.74 KDM4E (0.42) BRAFKDM4EALDH1A1LMNAGLA
SCHEMBL2933038 0.73 BRAF (0.66) BRAF

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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS BRAF 1/4885BRD4 2130/4885KDM4E 4113/4885

“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.