SCHEMBL8025237

SCHEMBL8025237

CC1c2nnc(-c3ccco3)n2CCN1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TACR2 P21452 3/20 0.39
TACR3 P29371 3/20 0.39
TACR1 P25103 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 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
SCHEMBL928293 0.77 TACR3 (0.57) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL8011221 0.76 CYP1A2 (0.39) ALDH1A1TACR2TACR3TACR1MAPK1
SCHEMBL8026949 0.75 SMN1; SMN2 (0.38) ALDH1A1KDM4EHPGDTACR2TACR3
SCHEMBL8028692 0.73 TACR3 (0.47) KDM4ETACR2TACR3TACR1
SCHEMBL8032099 0.72 TACR3 (0.58) TACR3MAPK1SMN1; SMN2TSHR
SCHEMBL8028635 0.72 CHRM2 (0.41) ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL12905247 0.71 P2RX7 (0.48) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL8011491 0.71 CHRM2 (0.35) ALDH1A1KDM4EHPGDLMNATACR3
SCHEMBL12905262 0.71 TACR3 (0.34) TACR2TACR3TACR1
SCHEMBL8026959 0.70 DRD2 (0.40) TACR2TACR3TACR1

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 ALDH1A1 2888/4885KDM4E 1667/4885HPGD 720/4885

“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.