SCHEMBL288127

SCHEMBL288127

O=CNCCCc1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TERT O14746 1/20 0.49
NAMPT P43490 11/20 0.40
PBK Q96KB5 1/20 0.38
ALOX15 P16050 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CXCR4 P61073 1/20 0.36

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
SCHEMBL2001396 0.89 TERT (0.56) TBXAS1TERTNAMPTPBKALOX15
SCHEMBL27220846 0.83 TERT (0.56) TBXAS1TERTNAMPTPBKALOX15
SCHEMBL6583649 0.80 TBXAS1 (0.53) TBXAS1TERTNAMPTALOX15TAAR1
SCHEMBL29956446 0.79 TBXAS1 (0.56) TBXAS1TERTNAMPTALOX15TAAR1
SCHEMBL1147064 0.78
SCHEMBL28717125 0.78 TERT (0.47) TBXAS1TERTNAMPTALOX15TAAR1
SCHEMBL238669 0.77 TBXAS1 (0.58) TBXAS1TERTNAMPTALOX15TAAR1
SCHEMBL21573829 0.77 TERT (0.50) TBXAS1TERTNAMPTALOX15TAAR1
SCHEMBL28720417 0.77 TBXAS1 (0.46) TBXAS1TERTTAAR1CXCR4
SCHEMBL28717110 0.77 TBXAS1 (0.46) TBXAS1TERTTAAR1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP claimed
JP-2003525278-A 2003-08-26 JP claimed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP claimed
EP-1268445-A1 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES AstraZeneca AB (SE) 2003-01-02 EP claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP claimed
WO-2001072717-A1 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES ASTRAZENECA AB (SE) 2001-10-04 WO claimed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-24 US disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 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 (2 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 TBXAS1 619/4885TERT 1067/4885NAMPT 1038/4885
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR TBXAS1 580/4885TERT 4203/4885NAMPT 3829/4885

“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.