SCHEMBL481702

SCHEMBL481702

Cc1nc(N)c(N[C@H](C)c2ccccc2)nc1Br

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.53
NUDT1 P36639 1/20 0.44
LDHB P07195 9/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.43
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
EGFR P00533 2/20 0.42

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
SCHEMBL481744 1.00 LDHA (0.53) LDHANUDT1LDHBADORA2AADORA1
SCHEMBL482107 0.77 LDHB (0.57) LDHANUDT1LDHBMAP4K4GALR3
SCHEMBL481774 0.77 LDHB (0.57) LDHANUDT1LDHBMAP4K4GALR3
SCHEMBL481775 0.77 LDHB (0.57) LDHANUDT1LDHBMAP4K4GALR3
SCHEMBL3953538 0.71 ALDH1A1 (0.55) LDHALDHBMAP4K4GALR3NR2F2
SCHEMBL481823 0.71 ALDH1A1 (0.55) LDHALDHBMAP4K4GALR3NR2F2
SCHEMBL481822 0.71 ALDH1A1 (0.55) LDHALDHBMAP4K4GALR3NR2F2
SCHEMBL11107608 0.71 GALR3 (0.57) GALR3NR2F2EGFR
SCHEMBL11104368 0.71 GALR3 (0.57) GALR3NR2F2EGFR
SCHEMBL6356337 0.69 CRHR1 (0.53) MEN1MAPTHTTKMT2AGALR3

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 LDHA 393/4885NUDT1 3446/4885LDHB 425/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 LDHA 354/4885NUDT1 3218/4885LDHB 349/4885

“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.