SCHEMBL1618174

SCHEMBL1618174

c1ccc(CN2CC3CNCC(C2)O3)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DRD4 P21917 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GBA1 P04062 1/20 0.43

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
Hydrochloric Acid SCHEMBL1619305 0.98 FUCA1 (0.49) FUCA1SIGMAR1ALDH1A1TDP1DRD4
SCHEMBL60509 0.84 FUCA1 (0.55) FUCA1SIGMAR1ALDH1A1DRD4S1PR1
SCHEMBL12187772 0.84 FUCA1 (0.55) FUCA1SIGMAR1ALDH1A1DRD4S1PR1
SCHEMBL5316806 0.83 SLC6A3 (0.47) SIGMAR1DRD2GBA1
Hydrochloric Acid SCHEMBL11836687 0.82 FUCA1 (0.53) FUCA1SIGMAR1ALDH1A1DRD4S1PR1
SCHEMBL477142 0.80 FUCA1 (0.55) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL653224 0.80 FUCA1 (0.55) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL3120195 0.80 USP2 (0.49) SIGMAR1DRD4DRD2DRD3
SCHEMBL5540770 0.79 FUCA1 (0.50) FUCA1SIGMAR1ALDH1A1DRD4S1PR1
SCHEMBL4669302 0.79 FUCA1 (0.50) FUCA1SIGMAR1ALDH1A1TDP1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 EP disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083690-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083691-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002028863-A1 NEW OXABISPIDINE COMPOUND USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-11 WO disclosed
WO-2002028864-A1 NEW PROCESS FOR THE PRODUCTION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-04-11 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 FUCA1 3824/4885SIGMAR1 3859/4885ALDH1A1 1115/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 FUCA1 3920/4885SIGMAR1 3883/4885ALDH1A1 1234/4885

“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.