SCHEMBL483368

SCHEMBL483368

Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1NCC1CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
CSF1R P07333 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
BTK Q06187 3/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP2D6 P10635 7/20 0.35
DPP4 P27487 7/20 0.35
DPP8 Q6V1X1 7/20 0.35
DPP9 Q86TI2 7/20 0.35
DPP7 Q9UHL4 7/20 0.35
JAK3 P52333 2/20 0.35
ATR Q13535 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MET P08581 1/20 0.31

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
SCHEMBL17075698 0.78 LDHA (0.37) LDHALDHBCSF1RBTKPDE10A
SCHEMBL2211261 0.76 LDHA (0.46) LDHALDHBBTKPDE10AJAK3
SCHEMBL2906959 0.75 CYP2D6 (0.38) TRPV1BTKCYP2D6DPP4DPP8
SCHEMBL481773 0.75 PRMT5 (0.41)
SCHEMBL2210053 0.74 KAT2B (0.43) LDHALDHBCSF1RPIM1PIM3
SCHEMBL1598802 0.73 CYP2D6 (0.46) TRPV1CYP2D6DPP4DPP8DPP9
SCHEMBL481984 0.72 CCNT1 (0.44) LDHALDHBBTKPDE10A
SCHEMBL18440370 0.72 TNK2 (0.39) CSF1RTRPV1BTKCYP2D6DPP4
SCHEMBL3934702 0.71 DPP4 (0.48) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL1598429 0.70 CYP2D6 (0.43) TRPV1CYP2D6DPP4DPP8DPP9

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 393/4885LDHB 425/4885CSF1R 1115/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 LDHA 354/4885LDHB 349/4885CSF1R 1750/4885

“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.