SCHEMBL1097604

SCHEMBL1097604

CN(C)c1cccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.50
NOS2 P35228 3/20 0.50
NCF1 P14598 2/20 0.43
ASIC3 Q9UHC3 1/20 0.40
SMPD3 Q9NY59 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DYRK1A Q13627 1/20 0.37
GRM4 Q14833 1/20 0.35
NUDT1 P36639 1/20 0.35
NOS1 P29475 4/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34

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
SCHEMBL29907766 1.00 NOS3 (0.50) NOS3NOS2NCF1ASIC3SMPD3
Hydrochloric Acid SCHEMBL3335648 0.98 NOS3 (0.48) NOS3NOS2NCF1ASIC3SMPD3
2-Aminopyridine SCHEMBL1279022 0.85 NOS3 (0.55) NOS3NOS2NCF1ASIC3ALDH1A1
SCHEMBL4271497 0.82 NCF1 (0.52) NCF1SMPD3ALDH1A1TP53CYP3A4
SCHEMBL4667703 0.80 ALDH1A1 (0.43) NOS3NOS2ASIC3ALDH1A1TP53
SCHEMBL28506084 0.79 NOS3 (0.43) NOS3NOS2NCF1ASIC3GRM4
SCHEMBL2252055 0.76 NOS3 (0.45) NOS3NOS2ASIC3ALDH1A1CYP3A4
SCHEMBL23104383 0.76 HRH3 (0.59) NOS3NOS2NOS1
SCHEMBL29736634 0.76 HRH3 (0.59) NOS3NOS2NOS1
SCHEMBL31415250 0.73 CCR1 (0.50) NOS3NOS2NCF1SMPD3ALDH1A1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112512792-B Laminate and method for producing laminate 东洋纺株式会社 2023-02-17 CN claimed
US-10639257-B2 Composition for colouring keratin fibres BEAUTY & BUSINESS S.P.A. (IT) 2020-05-05 US claimed
US-20190117541-A1 COMPOSITION FOR COLOURING KERATIN FIBRES BEAUTY & BUSINESS S.P.A. (IT) 2019-04-25 US claimed
EP-1598048-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-13 EP claimed
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US claimed
EP-4615839-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
US-12337052-B2 Hair treatment method that increases the bond density of damaged hair BEAUTY & BUSINESS S.P.A. (IT) 2025-06-24 US disclosed
EP-4548908-A1 PERMANENT OXIDATIVE HAIR-COLOURING COMPOSITIONS Beauty & Business SpA (IT) 2025-05-07 EP disclosed
US-20250134788-A1 PERMANENT OXIDATIVE HAIR-COLORING COMPOSITIONS BEAUTY & BUSINESS S.P.A. (IT) 2025-05-01 US disclosed
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-06 US disclosed
WO-2024102794-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO disclosed
US-20240033199-A1 HAIR TREATMENT METHOD THAT INCREASES THE BOND DENSITY OF DAMAGED HAIR BEAUTY & BUSINESS S.P.A. (IT) 2024-02-01 US disclosed
EP-0825985-B1 A PROCESS FOR PREPARING PYRIDINE-2,6-DIAMINES AKZO NOBEL NV (NL) 1999-05-26 EP disclosed
EP-0825985-A1 A PROCESS FOR PREPARING PYRIDINE-2,6-DIAMINES Akzo Nobel N.V. (NL) 1998-03-04 EP disclosed
WO-1996036607-A1 A PROCESS FOR PREPARING PYRIDINE-2,6-DIAMINES AKZO NOBEL N.V. (NL) 1996-11-21 WO disclosed
US-4490533-A Aminoalkyl pyridine derivatives MERCK & CO., INC. (US) 1984-12-25 US disclosed
EP-0055179-A1 Aminoalkyl pyridine derivatives MERCK & CO. INC. (US) 1982-06-30 EP disclosed
US-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 NOS3 639/4885NOS2 2607/4885NCF1 3598/4885
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 NOS3 4303/4885NOS2 3281/4885NCF1 613/4885

“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.