SCHEMBL22075891

SCHEMBL22075891

COC(=O)n1c(C)cc2ccc(-n3cc(CC(=O)O)nn3)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.47
▸ NOTUM Q6P988 7/20 0.42
▸ MIF P14174 1/20 0.39
▸ RXRA P19793 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ DDX3X O00571 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL19127037 0.77 LDHA (0.44) LDHANOTUMMIFALDH1A1P2RX7
SCHEMBL19144674 0.74 ATM (0.47) LDHANOTUMMIFRXRAGRIN1
SCHEMBL19126510 0.72 PSMD10 (0.55) NOTUMMIFP2RX7
SCHEMBL14212120 0.71 LDHA (0.70) LDHANOTUMMIFRXRAGRIN1
SCHEMBL19933835 0.69 RXRA (0.57) NOTUMRXRAGRIN1GRIN2B
SCHEMBL22629818 0.67 MAPT (0.67) NOTUMRXRAGRIN1GRIN2BALDH1A1
SCHEMBL19127484 0.67 MIF (0.55) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL20676213 0.67 POLB (0.45) NOTUMALDH1A1
SCHEMBL19145227 0.66 NOTUM (0.38) NOTUMMIFALDH1A1P2RX7
SCHEMBL19144500 0.66 MAOA (0.58) NOTUMMIFALDH1A1CYP1A2CYP2D6

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-11186562-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2021-11-30 — — US disclosed
US-20200190054-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-20200190054-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 LDHA 2053/4885NOTUM 4734/4885MIF 4801/4885
US-11186562-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 LDHA 2053/4885NOTUM 4734/4885MIF 4801/4885

“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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