SCHEMBL930091

SCHEMBL930091

CC1NCCn2c(-c3ccc(F)nc3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
TACR3 P29371 2/20 0.34
JAK2 O60674 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALK Q9UM73 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CYP2A6 P11509 3/20 0.32
CYP2B6 P20813 3/20 0.32

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
SCHEMBL928992 0.82 TACR3 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8022104 0.77 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL930893 0.75 JAK2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL25282021 0.74 BACE1 (0.43) DYRK1ADYRK1B
SCHEMBL929494 0.74 HTR2A (0.33) CHRNB2TACR3DYRK1AQPCTQPCTL
SCHEMBL928947 0.74 GSK3B (0.48) DYRK1A
SCHEMBL929678 0.70 TACR3 (0.44) TACR3
Hydrochloric Acid SCHEMBL16145426 0.68 TACR3 (0.37) TACR3
SCHEMBL12905263 0.66 GSK3B (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18459372 0.65 TACR3 (0.34) TACR3

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 6 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
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
EP-2090576-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) 2009-08-19 EP 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
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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 CHRNB2 1598/4885CHRNB4 1201/4885CHRNA3 671/4885

“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.