SCHEMBL239226

SCHEMBL239226

O=C(Nc1cccnc1)NC1CCNC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.67
▸ EPHX2 P34913 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CDK2 P24941 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KHK P50053 1/20 0.45
▸ HTT P42858 2/20 0.45

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
SCHEMBL239225 1.00 POLB (0.67) POLBEPHX2ALDH1A1RAB9ANPC1
SCHEMBL22659944 0.92 POLB (0.75) POLBEPHX2ALDH1A1RAB9ANPC1
SCHEMBL27979353 0.83 EPHX1 (0.62) EPHX2ALDH1A1RAB9AKMT2ATSHR
SCHEMBL12086332 0.83 EPHX1 (0.62) EPHX2ALDH1A1RAB9AKMT2ATSHR
SCHEMBL23012617 0.79 CHRNB2 (0.48) ALDH1A1
SCHEMBL7098800 0.79 CHRNB2 (0.48) ALDH1A1
SCHEMBL23013465 0.79 CHRNB2 (0.48) ALDH1A1
SCHEMBL4221004 0.78 ALDH1A1 (0.59) ALDH1A1RAB9ACDK2MAPTTSHR
SCHEMBL4221000 0.78 ALDH1A1 (0.59) ALDH1A1RAB9ACDK2MAPTTSHR
SCHEMBL16731036 0.78 ALDH1A1 (0.59) ALDH1A1RAB9ACDK2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 — — US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 — — EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — US disclosed
EP-2066669-B1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-09-15 — — EP disclosed
EP-2211865-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 — — US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — US disclosed
WO-2009050198-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-23 — — WO disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 — — EP disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 — — EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — 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 (5 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 POLB 1432/4885EPHX2 2731/4885ALDH1A1 166/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 POLB 1432/4885EPHX2 2731/4885ALDH1A1 166/4885
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 POLB 1525/4885EPHX2 1537/4885ALDH1A1 333/4885
US-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R POLB 1206/4885EPHX2 152/4885ALDH1A1 749/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 POLB 1432/4885EPHX2 2731/4885ALDH1A1 166/4885

“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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