SCHEMBL19126548

SCHEMBL19126548

CN(C)Cc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.50
▸ NOS1 P29475 2/20 0.50
▸ NOS3 P29474 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ CYP51A1 Q16850 2/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ SMO Q99835 1/20 0.36
▸ NOX1 Q9Y5S8 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
SCHEMBL19126736 0.81 HRH3 (0.53) HRH3TAAR1CYP51A1CA1CA2
SCHEMBL13455265 0.77 PLAU (0.47) TAAR1CYP51A1CA1CA2CA5A
SCHEMBL15590856 0.76 CYP51A1 (0.49) ALDH1A1TSHRCYP51A1CA1CA2
SCHEMBL30874461 0.76 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL659509 0.75 HRH3 (0.82) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL16748959 0.75 CA1 (0.58) CYP51A1CA1CA2CA5ACA9
SCHEMBL15290259 0.73 PTGS2 (0.44) CYP51A1CA1CA2CA5ACA9
SCHEMBL23623817 0.72 CYP51A1 (0.50) CYP51A1CA1CA2CA5ACA9
SCHEMBL15617808 0.72 CYP51A1 (0.46) CYP51A1CA1CA2CA5ACA9
SCHEMBL13190235 0.72 HRH3 (0.56) HRH3NOS1NOS3NOS2ALDH1A1

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 12 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
CN-108473485-B Quinolin-2-one derivatives 默克专利股份公司 2021-11-02 — — CN 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
CN-108473485-A QUINOLIN-2-ONE DERIVATIVES 默克专利股份公司 2018-08-31 — — CN 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 637/4885NOS1 2055/4885NOS3 1329/4885
US-20190023685-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-20200190054-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-11939314-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-10669251-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885
US-11186562-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 HRH3 637/4885NOS1 2055/4885NOS3 1329/4885

“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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