SCHEMBL19126736

SCHEMBL19126736

CN(C)CCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.53
▸ TAAR1 Q96RJ0 6/20 0.50
▸ CYP51A1 Q16850 1/20 0.41
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL30874461 0.82 CYP51A1 (0.49) CYP51A1SCN1ASCN2ASCN3ACA1
SCHEMBL19145438 0.81 HRH3 (0.53) HRH3TAAR1TP53
SCHEMBL19126548 0.81 HRH3 (0.50) HRH3TAAR1CYP51A1SCN1ASCN2A
SCHEMBL15290259 0.79 PTGS2 (0.44) CYP51A1SCN1ASCN2ASCN3ACA1
SCHEMBL18762839 0.77 HRH3 (0.84) HRH3TAAR1TP53
SCHEMBL14394949 0.76 CYP3A4 (0.49) CYP51A1CA1CA2TP53PTGS2
SCHEMBL18986564 0.75 HRH3 (0.54) HRH3
SCHEMBL13754591 0.75 LTB4R (0.45) CYP51A1SCN1ASCN2ASCN3ACA1
SCHEMBL30906028 0.75 CYP51A1 (0.44) CYP51A1SCN1ASCN2ASCN3ACA1
SCHEMBL20552585 0.75 CYP51A1 (0.44) CYP51A1SCN1ASCN2ASCN3ACA1

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 10 patents. 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 disclosed
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
EP-3402792-A1 QUINOLIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-11-21 — — EP disclosed
WO-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 — — WO 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 (8 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 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-20190023685-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-20200190054-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-11939314-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-10669251-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885
US-11186562-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885TAAR1 3243/4885CYP51A1 3448/4885

“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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