SCHEMBL10495

SCHEMBL10495

CCCc1cn(C(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 2/20 0.33
▸ CPA1 P15085 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ KDM5A P29375 1/20 0.30

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
SCHEMBL6124221 0.83 CPA1 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1402037 0.82 CYP2C9 (0.58) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL3855530 0.81 TDP1 (0.59) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1908703 0.79 HRH3 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL6375814 0.79 CYP2C9 (0.34) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL18161622 0.79 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14375521 0.79 CDK5 (0.35) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL6368933 0.78 CYP2C9 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12226755 0.78 CPA1 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL11477981 0.78 CPA1 (0.35) CYP2C9TSHRCYP2C19MTORHRH4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 — — WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 — — US disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 — — US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 — — US disclosed
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 — — EP disclosed
WO-2011048936-A1 AMINOTHIAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2011-04-28 — — WO disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 — — US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 — — US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 — — US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 — — US disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 — — 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 (3 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 CYP2C9 2083/4885TSHR 1612/4885CYP2C19 2446/4885
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CYP2C9 3428/4885TSHR 4301/4885CYP2C19 3926/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD CYP2C9 3872/4885TSHR 1324/4885CYP2C19 2458/4885

“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.

Send feedback