SCHEMBL30810583

SCHEMBL30810583

CO[C@H]1CC[C@H](Oc2ccc(-n3cc(-c4cc5cc(F)ccc5[nH]c4=O)nn3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ PTPN7 P35236 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ WRN Q14191 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MIF P14174 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ CA12 O43570 3/20 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
SCHEMBL19145702 1.00 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL20657730 1.00 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19127041 1.00 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19127481 0.90 IDH1 (0.38) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL20676085 0.90 IDH1 (0.38) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19126806 0.88 HRH3 (0.40) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL22075786 0.87 HRH3 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL20676101 0.87 HRH3 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19126757 0.87 HRH3 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19126430 0.87 HRH3 (0.42) CDK5CDK5R1KDM4ENPC1ALDH1A1

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-11939314-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2024-03-26 — — US claimed

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-11939314-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 CDK5 243/4885CDK5R1 269/4885KDM4E 460/4885

“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.

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