SCHEMBL928992

SCHEMBL928992

CC1NCCn2c(-c3ccc(F)nc3)nnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.50
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
CYP3A4 P08684 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 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

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
SCHEMBL930091 0.82 CHRNB2 (0.36) TACR3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25267697 0.80 TACR3 (0.51) TACR3GAATSHR
SCHEMBL928185 0.77 TACR3 (0.57) TACR3CYP3A4CYP2C19GAATSHR
SCHEMBL929293 0.77 TACR3 (0.51) TACR3CYP3A4CYP2A6CYP2C19GAA
SCHEMBL8032051 0.77 TACR3 (0.49) TACR3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL929542 0.76 TACR3 (0.59) TACR3
SCHEMBL930893 0.75 JAK2 (0.39) TACR3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL930257 0.74 TACR3 (0.48) TACR3QPCTQPCTLMTOR
SCHEMBL18916724 0.73 TACR3 (0.56) TACR3CYP3A4CYP2C19GAATSHR
SCHEMBL17644327 0.73 TACR3 (0.52) TACR3CYP2C19TSHR

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 TACR3 486/4885CHRNB2 1598/4885CHRNB4 1201/4885

“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.