Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908703

SCHEMBL1908703

SCHEMBL1908703

CNCCc1cn(C(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ CPB2 Q96IY4 2/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ ADORA2A P29274 5/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ATM Q13315 1/20 0.31
▸ CPA1 P15085 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
SCHEMBL22509543 0.81 CDK5 (0.34) CPB2CDK5CDK5R1CPA1
SCHEMBL10495 0.79 CYP2C9 (0.37) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL1402037 0.78 CYP2C9 (0.58) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL12015008 0.78 HRH4 (0.36) HRH3TDP1HRH4CYP2C9TSHR
Hydrochloric Acid SCHEMBL3855530 0.76 TDP1 (0.59) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL1913121 0.76 HRH3 (0.60) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL18161622 0.75 CYP2C9 (0.38) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL6375814 0.75 CYP2C9 (0.34) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL14375521 0.75 CDK5 (0.35) HRH3TDP1HRH4CYP2C9TSHR
SCHEMBL6124221 0.75 CPA1 (0.33) HRH3TDP1HRH4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 — — US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 — — US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 — — EP disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 — — WO disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 — — US disclosed
US-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 — — US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 — — US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 — — US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 — — US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 — — US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 — — 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 (6 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-20090281127-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 HRH3 1059/4885LMNA 3049/4885TAAR1 1295/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH3 628/4885LMNA 4096/4885TAAR1 110/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 HRH3 678/4885LMNA 1663/4885TAAR1 99/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 HRH3 1211/4885LMNA 1496/4885TAAR1 2091/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 HRH3 1116/4885LMNA 3993/4885TAAR1 2082/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HRH3 318/4885LMNA 3576/4885TAAR1 94/4885

“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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