Sugi Predict

Sugi Predict / Compounds / SCHEMBL1496258

SCHEMBL1496258

SCHEMBL1496258

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ IDO1 P14902 3/20 0.41
▸ TDO2 P48775 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ABCC8 Q09428 2/20 0.36
▸ KCNJ11 Q14654 2/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ CXCR5 P32302 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA2 P47869 1/20 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
SCHEMBL1593796 0.79 IDO1 (0.39) ALDH1A1IDO1TDO2MEN1KMT2A
SCHEMBL14236122 0.78 IDO1 (0.42) ALDH1A1IDO1TDO2MEN1KMT2A
SCHEMBL1593117 0.78 IDO1 (0.53) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL30908092 0.77 IDO1 (0.41) ALDH1A1IDO1TDO2MEN1KMT2A
SCHEMBL1593429 0.77 ALDH1A1 (0.42) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL1496184 0.77 IDO1 (0.41) ALDH1A1IDO1TDO2MEN1KMT2A
SCHEMBL1593872 0.77 DYRK1A (0.41) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL29026775 0.77 IDO1 (0.41) ALDH1A1IDO1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1593031 0.77 IDO1 (0.51) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL1593079 0.77 IDO1 (0.41) ALDH1A1IDO1TDO2MEN1KMT2A

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 8 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
EP-2470532-A1 1H-PYRAZOLO [ 3, 4-B]PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 — — 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
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 (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 ALDH1A1 1578/4885IDO1 3946/4885TDO2 3040/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1210/4885IDO1 3410/4885TDO2 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.