SCHEMBL30104793

SCHEMBL30104793

CCn1cccc(-c2ccc(N)c(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALOX5AP P20292 6/20 0.36
FEN1 P39748 6/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
APAF1 O14727 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL23205941 1.00 BRD4 (0.39) BRD4MEN1USP2KMT2AATM
SCHEMBL13241223 0.81 BRD4 (0.48) BRD4ALOX5APFEN1ALDH1A1KDM5B
Hydrochloric Acid SCHEMBL2997477 0.80 BRD4 (0.47) BRD4ALOX5APFEN1ALDH1A1KDM5B
SCHEMBL23165874 0.75 KDM4E (0.35) HSD11B1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL21602066 0.72 KDM4E (0.46) BRD4HSD11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13923526 0.71 ELANE (0.46) BRD4MEN1USP2KMT2AATM
SCHEMBL23206297 0.70 BRD4 (0.62) BRD4MAPTPDE3BPDE3AP2RX7
SCHEMBL30104760 0.70 BRD4 (0.62) BRD4MAPTPDE3BPDE3AP2RX7
SCHEMBL21000574 0.69 FEN1 (0.53) ALOX5APFEN1ALDH1A1
SCHEMBL5505270 0.69 AURKA (0.47) BRD4KMT2AATMALOX5APFEN1

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-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 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-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 BRD4 482/4885MEN1 2841/4885USP2 2245/4885

“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.