SCHEMBL4789542

SCHEMBL4789542

C1=C(c2ccncn2)CCNC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HTR2C P28335 7/20 0.46
HRH3 Q9Y5N1 1/20 0.45
QDPR P09417 2/20 0.44
CDC7 O00311 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN9A Q15858 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL169400 0.79 SIGMAR1 (0.56) SIGMAR1HTR2CQDPRKDM4EALDH1A1
SCHEMBL30454304 0.79 SIGMAR1 (0.56) SIGMAR1HTR2CQDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4002469 0.77 HTR2C (0.58) SIGMAR1HTR2CQDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL17667435 0.77 HTR2C (0.58) SIGMAR1HTR2CQDPRKDM4EALDH1A1
SCHEMBL4789657 0.77 SIGMAR1 (0.64) SIGMAR1HTR2CHRH3QDPRKDM4E
Hydrochloric Acid SCHEMBL25208309 0.73 HTR2C (0.50) SIGMAR1HTR2CHRH3QDPRKDM4E
Hydrochloric Acid SCHEMBL30307693 0.73 HTR2C (0.50) SIGMAR1HTR2CHRH3QDPRKDM4E
SCHEMBL171391 0.73 HTR6 (0.47) SIGMAR1HTR2CHRH3QDPRKDM4E
SCHEMBL15001445 0.72 SIGMAR1 (0.41) SIGMAR1HTR2CHRH3QDPRKDM4E
SCHEMBL171607 0.72 HTR2C (0.59) SIGMAR1HTR2CHRH3QDPRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
WO-2007066103-A1 PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR ASTRAZENECA AB (SE) 2007-06-14 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 (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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 SIGMAR1 243/4885HTR2C 222/4885HRH3 76/4885

“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.