SCHEMBL481445

SCHEMBL481445

COc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 9/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
FGFR4 P22455 2/20 0.50
RPS6KB2 Q9UBS0 2/20 0.50
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL10711270 0.86 L3MBTL1 (0.67) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL2195864 0.84 FGFR4 (0.50) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL2193646 0.83 MAPT (0.51) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL18181774 0.82 PIN1 (0.63) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL2191930 0.82 MAPK1 (0.57) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL15389768 0.81 MEN1 (0.55) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL18319419 0.79 MAPT (0.54) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL2464563 0.79 MEN1 (1.00) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL2209657 0.77 MEN1 (0.56) KMT2AL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL1600402 0.76 PIN1 (0.65) KMT2AL3MBTL1MEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA KMT2A 762/4885L3MBTL1 724/4885MEN1 3409/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 KMT2A 703/4885L3MBTL1 566/4885MEN1 3172/4885

“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.