SCHEMBL1773186

SCHEMBL1773186

Cc1[nH]c2ncc([N+](=O)[O-])cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL21463510 0.74 DYRK1A (0.44) IDO1MEN1KMT2AALDH1A1GAA
SCHEMBL1593429 0.74 ALDH1A1 (0.42) IDO1MEN1KMT2AMAPTNPC1
SCHEMBL30590799 0.74 DYRK1A (0.44) IDO1MEN1KMT2AALDH1A1GAA
SCHEMBL4129024 0.74 CA12 (0.54) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL13199577 0.73 PDK2 (0.43)
SCHEMBL3662505 0.72 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL986539 0.72 ALDH1A1 (0.46) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL15999446 0.72 GABRA1 (0.55) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL1639439 0.71 HTT (0.43) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL1565081 0.70 CHEK1 (0.45) IDO1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IDO1 3443/4885MEN1 624/4885KMT2A 3354/4885

“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.