SCHEMBL8032099

SCHEMBL8032099

CC1c2nnc(-c3ccccn3)n2CCN1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.58
P2RX7 Q99572 7/20 0.55
TSHR P16473 2/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERG P11308 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8027377 0.82 TACR3 (0.42) TACR3P2RX7
SCHEMBL16291350 0.82 TACR3 (0.57) TACR3P2RX7TSHRTP53NPC1
SCHEMBL8026949 0.78 SMN1; SMN2 (0.38) TACR3P2RX7SMN1; SMN2ERGKCNH2
SCHEMBL930214 0.78 TACR3 (0.52) TACR3P2RX7TSHRTP53NPC1
SCHEMBL14635101 0.78 TACR3 (0.52) TACR3P2RX7TSHRTP53NPC1
SCHEMBL17644327 0.78 TACR3 (0.52) TACR3P2RX7TSHRTP53NPC1
SCHEMBL8025159 0.77 TACR3 (0.43) TACR3P2RX7KCNH2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL14634796 0.77 TACR3 (0.51) TACR3P2RX7TSHRTP53NPC1
Hydrochloric Acid SCHEMBL2565540 0.77 TACR3 (0.51) TACR3P2RX7TSHRTP53NPC1
SCHEMBL8028631 0.76 TACR3 (0.38) TACR3P2RX7TSHRTP53NPC1

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 486/4885P2RX7 71/4885TSHR 2393/4885

“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.