SCHEMBL1925532

SCHEMBL1925532

Cc1cc(-c2c[nH]nc2N)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
DYRK1A Q13627 4/20 0.48
PIM1 P11309 2/20 0.48
DYRK2 Q92630 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
NFATC1 O95644 1/20 0.47
MAP4K4 O95819 3/20 0.45
PIK3CB P42338 1/20 0.43
MTOR P42345 2/20 0.41
CDK9 P50750 1/20 0.40
UHRF1 Q96T88 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL5258225 0.79 DYRK1A (0.45) CCNCCDK8DYRK1APIM1DYRK2
SCHEMBL1925802 0.78 NOS3 (0.34) DYRK1APIM1DYRK2DYRK1B
SCHEMBL14411267 0.75 MAPK14 (0.46) CCNCCDK8DYRK1APIM1DYRK2
SCHEMBL5256574 0.74 MAPK14 (0.49) CCNCCDK8DYRK1APIM1DYRK2
SCHEMBL11743569 0.74 LRRK2 (0.49) CDK8DYRK1APIM1DYRK1BMAP4K4
SCHEMBL1925085 0.74 IMPDH2 (0.43) CCNCCDK8DYRK1ADYRK1BNFATC1
SCHEMBL20508774 0.73 DYRK1A (0.69) CCNCCDK8DYRK1APIM1DYRK2
SCHEMBL27516670 0.72 FGFR2 (0.42) CCNCCDK8DYRK1APIM1DYRK2
SCHEMBL5257164 0.72 GRM2 (0.43) DYRK1APIM1DYRK2DYRK1BTDO2
SCHEMBL1896511 0.72 DYRK1A (0.65) CCNCCDK8DYRK1ANFATC1MAP4K4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
CN-101239981-B Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
CN-100522964-C Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
CN-101239981-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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 (2 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CCNC 889/4885CDK8 1275/4885DYRK1A 1407/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CCNC 889/4885CDK8 1275/4885DYRK1A 1407/4885

“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.