SCHEMBL30104779

SCHEMBL30104779

Nc1ccc(-c2ccc[nH]c2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
TNKS O95271 2/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
DAO P14920 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL5505270 1.00 AURKA (0.47) AURKAAURKBINCENPPDE3BPDE3A
SCHEMBL3342855 0.77 LMNA (0.48) AURKAAURKBINCENPPDE3BPDE3A
SCHEMBL13736614 0.75 AURKA (0.52) AURKAAURKBINCENPALDH1A1MAPT
SCHEMBL25728205 0.75 KDM4E (0.44) AURKAAURKBINCENPMAPTTNKS
SCHEMBL21000574 0.75 FEN1 (0.53) ALDH1A1ALOX5APFEN1PTPRCPTPN1
SCHEMBL3781007 0.73 FEN1 (0.55) PDE3BPDE3AALDH1A1ALOX5APFEN1
SCHEMBL21715763 0.73 ALDH1A1 (0.46) ALDH1A1ALOX5APFEN1CA12CA1
SCHEMBL1335395 0.73 PIK3CD (0.56) AURKAAURKBPARP1
SCHEMBL3949651 0.72 KDM5B (0.42) AURKAAURKBINCENPPDE3BPDE3A
SCHEMBL13241223 0.72 BRD4 (0.48) PDE3BPDE3AALDH1A1ALOX5APFEN1

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 AURKA 313/4885AURKB 209/4885INCENP 1969/4885

“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.