Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908661

SCHEMBL1908661

SCHEMBL1908661

CCn1cnc(CCNC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 5/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.33

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
SCHEMBL14385625 0.86 CPB2 (0.56) CPB2HRH3TAAR1LMNAALDH1A1
SCHEMBL27317518 0.81 HRH3 (0.47) CPB2HRH3TAAR1LMNAALDH1A1
SCHEMBL10566 0.80 CPB2 (0.41) CPB2HRH3CYP2C9CYP2C19TDP1
SCHEMBL13853447 0.79 CPB2 (0.46) CPB2CYP2C9SMYD3PIK3CAPIK3CG
SCHEMBL1911274 0.78 CPB2 (0.46) CPB2HRH3TAAR1LMNAALDH1A1
SCHEMBL12662747 0.78 CPB2 (0.48) CPB2LMNAALDH1A1SMYD3PIK3CA
SCHEMBL589342 0.77 CYP2C9 (0.60) CPB2HRH3CYP2C9CYP2C19TDP1
SCHEMBL5239518 0.77 CPB2 (0.39) CPB2HRH3CYP2C9CYP2C19TDP1
SCHEMBL1913121 0.77 HRH3 (0.60) CPB2HRH3TAAR1LMNAALDH1A1
SCHEMBL1303332 0.77 CPB2 (0.39) CPB2HRH3CYP2C9CYP2C19TDP1

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
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 — — EP 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-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 — — US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 — — 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
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 — — EP 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CPB2 2817/4885HRH3 628/4885TAAR1 110/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 CPB2 1122/4885HRH3 678/4885TAAR1 99/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 CPB2 3120/4885HRH3 1211/4885TAAR1 2091/4885
US-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 CPB2 3484/4885HRH3 1157/4885TAAR1 960/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 CPB2 3120/4885HRH3 1116/4885TAAR1 2082/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 CPB2 3016/4885HRH3 318/4885TAAR1 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.