SCHEMBL482032

SCHEMBL482032

COc1cccc(CN2C(=O)CNc3ncc(Br)nc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2C19 P33261 6/20 0.41
TSHR P16473 5/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 6/20 0.40

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
SCHEMBL20017654 0.85 MTOR (0.47) CMA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL16563906 0.83 KDM4E (0.41) TSHRMAPK1ALDH1A1KDM4EMAPT
SCHEMBL29522354 0.83 MTOR (0.58) CMA1MEN1KMT2AAADATPIK3CA
SCHEMBL28760862 0.83 CMA1 (0.43) CMA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL138490 0.83 MTOR (0.58) CMA1MEN1KMT2AAADATPIK3CA
SCHEMBL482116 0.78 MEN1 (0.43) CMA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12146485 0.77 MEN1 (0.43) CMA1MEN1KMT2ATSHRALDH1A1
SCHEMBL153353 0.76 MTOR (0.58) KMT2ACYP1A2ALDH1A1HPGDMAPT
SCHEMBL153985 0.75 MTOR (0.50) MAPTPIK3CAMTORRPTORMLST8
SCHEMBL153920 0.69 MTOR (0.62) PIK3CAMTORRPTORMLST8

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 CMA1 2418/4885MEN1 3409/4885KMT2A 762/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CMA1 2209/4885MEN1 3172/4885KMT2A 703/4885

“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.