SCHEMBL1493347

SCHEMBL1493347

COCCOc1cc(N)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
PLAU P00749 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
KDM1A O60341 1/20 0.31
EGFR P00533 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
MAOA P21397 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL18780938 0.83 GAA (0.41)
SCHEMBL10495807 0.80 TSHR (0.40) MAPK1TSHR
SCHEMBL3261615 0.79 CYP2C9 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL1493390 0.79 THRB (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL1493270 0.79
SCHEMBL1493331 0.76
SCHEMBL10002505 0.71 LMNA (0.42) HCAR2MAPK1
SCHEMBL15717019 0.71 HPGD (0.40)
SCHEMBL17351776 0.70 MAPT (0.44) MAPK1
SCHEMBL28281923 0.70 NUDT1 (0.41) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG

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
EP-2470532-A1 1H-PYRAZOLO [ 3, 4-B]PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF PIK3CA 299/4885PIK3CD 493/4885PIK3CB 420/4885
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PIK3CA 132/4885PIK3CD 319/4885PIK3CB 381/4885

“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.