SCHEMBL8028690

SCHEMBL8028690

CN1CCn2c(nnc2-c2ccncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
HPGD P15428 6/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TACR3 P29371 3/20 0.39
CSNK1D P48730 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDK2 Q15119 1/20 0.39
MELK Q14680 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
THRB P10828 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL16281086 0.85 HPGD (0.56) P2RX7HPGDTACR3PDK2TSHR
SCHEMBL24185285 0.82 HPGD (0.56) P2RX7HPGDHRH4PDK2ALDH1A1
SCHEMBL12905242 0.81 ALDH1A1 (0.49) P2RX7HPGDGAAALDH1A1KDM4E
SCHEMBL12905252 0.81 HTR6 (0.46) HPGDHRH4TACR3ALDH1A1CYP1A2
SCHEMBL8027380 0.80 P2RX7 (0.54) P2RX7TACR3CYP1A2CYP2C9CYP2C19
SCHEMBL8028694 0.76 TACR3 (0.47) HPGDTACR3ALDH1A1KDM4ECYP1A2
SCHEMBL8011225 0.76 CYP1A2 (0.47) HPGDHRH4PDK2ALDH1A1CYP1A2
SCHEMBL8030446 0.75 TACR3 (0.61) P2RX7TACR3CYP1A2TSHRCYP2C9
SCHEMBL8034534 0.74 CYP2A6 (0.40) P2RX7HPGDTACR3PDK2CYP3A4
SCHEMBL1545197 0.74 HPGD (0.64) HPGDGAAALDH1A1KDM4EHTT

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 P2RX7 71/4885HPGD 720/4885DPP4 384/4885

“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.