SCHEMBL22110441

SCHEMBL22110441

O=c1[nH]c2ccc(F)cc2cc1-c1cn(-c2ccc(CO)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ DAO P14920 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDR P35968 8/20 0.38
▸ FLT3 P36888 4/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ PTGS1 P23219 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
SCHEMBL19145729 0.88 DAO (0.47) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19145552 0.86 KDR (0.48) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19127012 0.85 MAPK14 (0.46) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19127082 0.84 KDM4E (0.43) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19126504 0.83 CDK5 (0.43) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19126535 0.83 ALDH1A1 (0.47) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL30810529 0.83 CDK5 (0.43) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19127238 0.82 DHODH (0.47) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19126803 0.82 KDM4E (0.41) CDK5CDK5R1DAOKDM4ENPC1
SCHEMBL19146104 0.82 KDR (0.42) CDK5CDK5R1DAOKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174241-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2021-11-16 — — US disclosed
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-18 — — 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 (2 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-11174241-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 CDK5 243/4885CDK5R1 269/4885DAO 3826/4885
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 CDK5 243/4885CDK5R1 269/4885DAO 3826/4885

“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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