SCHEMBL7168077

SCHEMBL7168077

CCC(=O)Nc1ccn[c]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.40
ADORA1 P30542 9/20 0.40
ADORA2A P29274 8/20 0.40
ADORA2B P29275 6/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4995817 0.80 L3MBTL1 (0.42) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL4425197 0.75 HSD17B10 (0.47) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL30071242 0.70 FFAR2 (0.47) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL4410599 0.70 FFAR2 (0.47) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL6361625 0.70 SMN1; SMN2 (0.47) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL18900166 0.69 SORT1 (0.50) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL4551723 0.69 CA1 (0.47) ADORA3ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL9948612 0.69 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL4551457 0.68 SMN1; SMN2 (0.65) ADORA3ADORA1ADORA2AADORA2BRAB9A
SCHEMBL30071250 0.68 GAA (0.76) HSD17B10RAB9ANPC1TP53MAPK1

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
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
CN-1017708-B METHOD FOR PREPARATION OF PYRAZOLOTRIAZINE COMPOUNDS OTSUKA CHEMICAL CO LTD (JP) 1992-08-05 CN disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
CN-87107217-A Method for preparation of pyrazolotriazine compounds 1988-05-11 CN 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 (1 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-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 ADORA3 636/4885ADORA1 639/4885ADORA2A 650/4885

“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.