SCHEMBL1496183

SCHEMBL1496183

CC1(c2n[nH]c3ncc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KAT2B Q92831 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33

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
SCHEMBL1593429 0.78 ALDH1A1 (0.42) IDO1MEN1KMT2AMAPTGAA
SCHEMBL1593117 0.76 IDO1 (0.53) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL14236122 0.76 IDO1 (0.42) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL1496200 0.75 IDO1 (0.39) IDO1MEN1KMT2AGAAALDH1A1
SCHEMBL1496184 0.75 IDO1 (0.41) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL1593872 0.75 DYRK1A (0.41) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL30908092 0.75 IDO1 (0.41) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL1593079 0.75 IDO1 (0.41) IDO1MEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL1593031 0.75 IDO1 (0.51) IDO1MEN1KMT2AMAPTHPGD
SCHEMBL29026775 0.75 IDO1 (0.41) IDO1MEN1KMT2AMAPTHPGD

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 3 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
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE 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

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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF IDO1 3946/4885MEN1 1472/4885KMT2A 3272/4885

“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.

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