SCHEMBL930893

SCHEMBL930893

CC1NCCn2cc(-c3ccc(F)nc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
GSK3A P49840 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
MAP2K1 Q02750 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPK14 Q16539 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALK Q9UM73 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MTOR P42345 1/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
SYK P43405 2/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL8028934 0.80 CHRNB2 (0.38) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL928992 0.75 TACR3 (0.50) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL930091 0.75 CHRNB2 (0.36) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL929109 0.74 PDCD1 (0.48) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL930268 0.73 MTOR (0.38) MTORMAPT
SCHEMBL8019061 0.68 DYRK1A (0.38) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL929539 0.68 TACR3 (0.46) TACR3
SCHEMBL5654734 0.66 TACR3 (0.39) TACR3
SCHEMBL12781519 0.63 ALDH1A3 (0.39) CLK4MAPTHPGDSPIM1
SCHEMBL12845555 0.63 ALDH1A3 (0.39) CLK4MAPTHPGDSPIM1

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 JAK2 1439/4885RET 1540/4885KDR 3880/4885

“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.