SCHEMBL1593796

SCHEMBL1593796

O=[N+]([O-])c1cnc2[nH]nc(CC(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
ALDH1A1 P00352 2/20 0.38
TDO2 P48775 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33
KAT2B Q92831 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA2 P47869 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1592861 0.82 GLA (0.41) IDO1ALDH1A1TDO2MEN1KMT2A
SCHEMBL1496210 0.82 IDO1 (0.38) IDO1ALDH1A1TDO2MEN1KMT2A
SCHEMBL1496258 0.79 ALDH1A1 (0.43) IDO1ALDH1A1TDO2MEN1KMT2A
SCHEMBL1592937 0.78 LMNA (0.40) IDO1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1593162 0.77 PRMT5 (0.32)
SCHEMBL1592830 0.75 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ANPC1GLA
SCHEMBL14236122 0.75 IDO1 (0.42) IDO1ALDH1A1TDO2MEN1KMT2A
SCHEMBL1593117 0.75 IDO1 (0.53) IDO1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1593872 0.74 DYRK1A (0.41) IDO1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1593429 0.74 ALDH1A1 (0.42) IDO1ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF IDO1 3410/4885ALDH1A1 1210/4885TDO2 1827/4885

“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.