SCHEMBL946432

SCHEMBL946432

O=C(Nc1ccccc1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
JAK2 O60674 1/20 0.85
TYK2 P29597 1/20 0.85
GAA P10253 2/20 0.81
KCNK3 O14649 1/20 0.80
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.74
STAT3 P40763 1/20 0.74
KDM4E B2RXH2 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 2/20 0.68
CA1 P00915 1/20 0.68
CA9 Q16790 1/20 0.68
NAMPT P43490 3/20 0.66
TAAR1 Q96RJ0 1/20 0.66
PTPN1 P18031 1/20 0.66
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
USP2 O75604 1/20 0.65

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
SCHEMBL164882 0.92 JAK2 (1.00) HTTJAK2TYK2GAAKCNK3
N-Phenylbenzamide SCHEMBL28666916 0.90 HTT (0.82) HTTJAK2TYK2GAAKCNK3
SCHEMBL1898755 0.90 GAA (0.91) HTTJAK2TYK2GAAKCNK3
SCHEMBL19242053 0.90 GAA (1.00) HTTJAK2TYK2GAAKCNK3
Methyl Alcohol SCHEMBL28281305 0.86 GAA (0.84) HTTJAK2TYK2GAAKCNK3
SCHEMBL29393952 0.85 JAK2 (0.86) HTTJAK2TYK2GAAKCNK3
SCHEMBL29013035 0.85 POLB (1.00) HTTJAK2TYK2GAASMN1; SMN2
SCHEMBL6448103 0.85 POLB (0.81) HTTJAK2TYK2GAAKCNK3
SCHEMBL5466412 0.85 JAK2 (0.86) HTTJAK2TYK2GAAKCNK3
SCHEMBL14716526 0.85 KDM4E (1.00) HTTJAK2TYK2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114555-B Pyrazolopyrimidine derivatives, process for their preparation and their therapeutic use 赛诺菲 2017-09-01 CN claimed
CN-104114555-A Pyrazolopyrimidine derivatives, process for their preparation and their therapeutic use SANOFI SA 2014-10-22 CN claimed
US-6605720-B1 Process for making spirolactone compounds MERCK & CO., INC. 2003-08-12 US claimed
US-20030144515-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK SHARP & DOHME LLC 2003-07-31 US claimed
US-5665680-A Method for increasing yield of soybean by inhibition of gibberellin biosynthesis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-09-09 US claimed
EP-0048998-B1 ISONICOTINANILIDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PLANT GROWTH REGULATOR CONTAINING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1985-01-09 EP claimed
EP-0048998-A2 Isonicotinanilide derivatives, process for preparing the same and plant growth regulator containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-04-07 EP claimed
JP-9000071-A None JP disclosed
JP-9000070-A None JP disclosed
JP-9000069-A None JP disclosed
JP-9000068-A None JP disclosed
JP-55139306-A None JP disclosed
JP-9098666-A None JP disclosed
US-4377407-A Isonicotinanilide derivatives, plant growth regulating compositions and use CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1983-03-22 US disclosed
EP-0048998-A2 Isonicotinanilide derivatives, process for preparing the same and plant growth regulator containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-04-07 EP disclosed
EP-0048998-A2 Isonicotinanilide derivatives, process for preparing the same and plant growth regulator containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-04-07 EP disclosed
EP-0048998-A2 Isonicotinanilide derivatives, process for preparing the same and plant growth regulator containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-04-07 EP disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 US disclosed
JP-S55139306-A PLANT GROWTH REGULATOR CHUGAI PHARMACEUT CO LTD 1980-10-31 JP disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 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 (1 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-20030144515-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS HSD17B7, PKD1, REN HTT 3602/4885JAK2 2651/4885TYK2 3526/4885

“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.