SCHEMBL20676085

SCHEMBL20676085

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 6/20 0.38
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ TYMS P04818 2/20 0.34
▸ MIF P14174 1/20 0.34
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL19127481 1.00 IDH1 (0.38) IDH1CDK5CDK5R1KDM4ENPC1
SCHEMBL20657730 0.90 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL30810583 0.90 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19127041 0.90 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL19145702 0.90 CDK5 (0.37) CDK5CDK5R1KDM4ENPC1ALDH1A1
SCHEMBL20657713 0.88 KCNH2 (0.40) IDH1CDK5CDK5R1KDM4ENPC1
SCHEMBL19126386 0.87 HRH3 (0.42) IDH1CDK5CDK5R1KCNH2HRH3
SCHEMBL19126849 0.86 PARP1 (0.40) IDH1CDK5CDK5R1KCNH2HRH3
SCHEMBL19127062 0.86 PARP1 (0.40) IDH1CDK5CDK5R1KCNH2HRH3
SCHEMBL30810563 0.86 PARP1 (0.40) IDH1CDK5CDK5R1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-26 — — US disclosed
US-11186562-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2021-11-30 — — US disclosed
US-11174241-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2021-11-16 — — US disclosed
US-20200190054-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-18 — — US disclosed
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-18 — — US disclosed
US-10669251-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2020-06-02 — — US disclosed
US-20190023685-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-01-24 — — 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 (7 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 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-20190023685-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-20200190054-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-10669251-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885
US-11186562-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 IDH1 643/4885CDK5 243/4885CDK5R1 269/4885

“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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