SCHEMBL30104760

SCHEMBL30104760

Cn1cccc(-c2ccc(F)c(N)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.62
P2RX7 Q99572 3/20 0.41
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL23206297 1.00 BRD4 (0.62) BRD4P2RX7HRH3GABRA1GABRG2
SCHEMBL13241223 0.88 BRD4 (0.48) BRD4P2RX7HRH3GABRA1GABRG2
Hydrochloric Acid SCHEMBL2997477 0.87 BRD4 (0.47) BRD4P2RX7HRH3GABRA1GABRG2
SCHEMBL3346060 0.83 BRD4 (0.43) BRD4P2RX7HRH3AURKATTK
SCHEMBL24196195 0.81 BRD4 (0.40) BRD4P2RX7HRH3GABRA1GABRG2
SCHEMBL24195926 0.80 ALDH1A1 (0.48) BRD4P2RX7HRH3MAPTTDP1
SCHEMBL18632123 0.77 ALDH1A1 (0.43) BRD4P2RX7LMNAMAPT
SCHEMBL26240869 0.77 CHEK1 (0.46) BRD4HRH3HSD17B10TDP1
SCHEMBL29848741 0.77 BRD4 (1.00) BRD4
SCHEMBL16650720 0.77 BRD4 (1.00) BRD4

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 482/4885P2RX7 3676/4885HRH3 4071/4885

“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.