SCHEMBL1270087

SCHEMBL1270087

Nc1nccc(C2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.49
CAMKK2 Q96RR4 1/20 0.47
HRH3 Q9Y5N1 4/20 0.42
ADORA2A P29274 2/20 0.41
AURKA O14965 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PRKACA P17612 1/20 0.41
ADORA1 P30542 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
FEN1 P39748 1/20 0.39

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
SCHEMBL1334272 0.98 HRH4 (0.47) HRH4CAMKK2HRH3ADORA2AAURKA
SCHEMBL28317093 0.96 HRH4 (0.44) HRH4CAMKK2HRH3ADORA2AAURKA
SCHEMBL2036795 0.92 ADORA2A (0.45) HRH4CAMKK2HRH3ADORA2AAURKA
Hydrochloric Acid SCHEMBL2018276 0.90 ADORA2A (0.44) HRH4CAMKK2HRH3ADORA2AAURKA
SCHEMBL1334584 0.83 ADORA2A (0.40) HRH4CAMKK2HRH3ADORA2AAURKA
SCHEMBL31226997 0.83 CDK1 (0.47) CAMKK2HRH3ADORA2AAURKAHSP90AA1
SCHEMBL20292302 0.83 HRH4 (0.57) HRH4HRH3ADORA2AAURKAHSP90AA1
SCHEMBL1334581 0.83 ADORA2A (0.40) HRH4CAMKK2HRH3ADORA2AAURKA
SCHEMBL2571086 0.83 PIK3CD (0.50) HRH3ADORA2AAURKAHSP90AA1PRKACA
SCHEMBL31227542 0.82 MAPK14 (0.44) CAMKK2HRH3ADORA2AAURKAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546148-A1 THERAPEUTIC COMPOUNDS BASED ON PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2005-06-29 EP claimed
WO-2004033454-A1 THERAPEUTIC COMPOUNDS BASED ON PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed
EP-1401836-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SmithKline Beecham Corporation (US) 2004-03-31 EP claimed
EP-1372643-A1 PYRAZOLOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 EP claimed
WO-2003000689-A1 IMIDAZO`1,2-A!PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-03 WO claimed
WO-2002078700-A1 PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
CN-114751909-B Preparation method of rebaudinib intermediate 杭州福斯特药业有限公司 2023-10-27 CN disclosed
CN-114751909-A Preparation method of Ribociclib intermediate 杭州福斯特药业有限公司 2022-07-15 CN disclosed
US-20110039873-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY MEDICINOVA, INC. 2011-02-17 US disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-1546148-A1 THERAPEUTIC COMPOUNDS BASED ON PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2005-06-29 EP disclosed
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP disclosed
WO-2004033454-A1 THERAPEUTIC COMPOUNDS BASED ON PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed
EP-1366048-A2 PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2003-12-03 EP disclosed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed
WO-2003000689-A1 IMIDAZO`1,2-A!PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-03 WO disclosed
WO-2002088124-A2 PYRAZOLO'1,5-A!PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-07 WO disclosed
WO-2002083672-A1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-24 WO disclosed
WO-2002078700-A1 PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002072581-A2 PYRAZOLOPYRIADINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 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 (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-20110039873-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY PARK7, MAPKAPK5, MAPK1 HRH4 3772/4885CAMKK2 207/4885HRH3 4137/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH4 1/4885CAMKK2 2744/4885HRH3 3/4885

“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.