SCHEMBL8034503

SCHEMBL8034503

CN1CCn2c(ccc2-c2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
METAP1 P53582 2/20 0.39
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
BLM P54132 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TACR3 P29371 4/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTR7 P34969 1/20 0.36
PARP1 P09874 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
SCHEMBL8030441 0.81 GSK3B (0.40) P2RX7
SCHEMBL8030446 0.75 TACR3 (0.61) SMN1; SMN2CYP1A2TACR3NPC1TP53
SCHEMBL12905227 0.73 GAA (0.38) ALDH1A1KDM4ELMNATSHRHTR6
SCHEMBL8028928 0.72 CYP1A2 (0.47) ALDH1A1HIF1ALMNACYP1A2TSHR
SCHEMBL8028631 0.71 TACR3 (0.38) SMN1; SMN2ALDH1A1METAP1HIF1AKDM4E
SCHEMBL10274627 0.67 CHRM1 (0.54) CHRM2CHRM1CHRM3
SCHEMBL8030436 0.67
SCHEMBL8025808 0.66 HTR6 (0.40) KDM4EHTR7HTR6CHRM2CHRM4
SCHEMBL8024335 0.65 DRD3 (0.37) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8027397 0.64 MAOA (0.38) ALDH1A1KDM4ECHRM2CHRM1

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 SMN1; SMN2 1276/4885ALDH1A1 2888/4885METAP1 2380/4885

“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.