SCHEMBL8028692

SCHEMBL8028692

CC1c2nnc(-c3cccs3)n2CCN1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.47
KCNH2 Q12809 8/20 0.47
CYP1A2 P05177 8/20 0.47
CYP2C9 P11712 8/20 0.47
CYP2C19 P33261 8/20 0.47
CYP3A4 P08684 7/20 0.47
CYP2D6 P10635 4/20 0.47
TACR2 P21452 4/20 0.47
TACR1 P25103 4/20 0.47
ERG P11308 3/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8026959 0.77 DRD2 (0.40) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL929725 0.76 TACR3 (0.52) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL8026949 0.76 SMN1; SMN2 (0.38) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL8028694 0.74 TACR3 (0.47) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL8028635 0.73 CHRM2 (0.41) CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8025237 0.73 ALDH1A1 (0.41) TACR3TACR2TACR1KDM4E
SCHEMBL8032099 0.73 TACR3 (0.58) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL8025804 0.72 CHRM2 (0.35) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL12905262 0.72 TACR3 (0.34) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL8011221 0.71 CYP1A2 (0.39) TACR3KCNH2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 TACR3 486/4885KCNH2 361/4885CYP1A2 1224/4885

“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.