SCHEMBL481944

SCHEMBL481944

CNC(=O)c1ccc(-c2cnc(O)c(Br)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
ATR Q13535 2/20 0.50
PRKDC P78527 1/20 0.50
BAZ2B Q9UIF8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MKNK2 Q9HBH9 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
PLK1 P53350 5/20 0.43
MTOR P42345 1/20 0.43
AKR1B1 P15121 1/20 0.41
RIPK1 Q13546 1/20 0.41
HDAC4 P56524 1/20 0.40
USP7 Q93009 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL481844 0.76 BAZ2B (0.56) ATMATRPRKDCBAZ2BSMN1; SMN2
SCHEMBL3524358 0.73 BCHE (0.44) SMN1; SMN2NPC1MAPTRAB9AHDAC6
SCHEMBL15201514 0.70 ATR (0.58) ATMATRPRKDC
SCHEMBL12409679 0.70 BAZ2B (0.65) ATMATRPRKDCBAZ2BSMN1; SMN2
SCHEMBL15507078 0.70 BAZ2B (0.79) ATMBAZ2BSMN1; SMN2NPC1MAPT
SCHEMBL14115137 0.70 HDAC6 (0.70) SMN1; SMN2NPC1RAB9AHDAC6HDAC2
SCHEMBL16198923 0.70 HDAC6 (0.70) SMN1; SMN2NPC1RAB9AHDAC6HDAC2
SCHEMBL3460993 0.69 ATR (0.71) ATMATRPRKDC
SCHEMBL6611608 0.69 HDAC2 (0.63) SMN1; SMN2HDAC6HDAC2HDAC8MKNK2
SCHEMBL16425231 0.69 ATR (0.56) ATMATRPRKDCSMN1; SMN2NPC1

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 ATM 134/4885ATR 562/4885PRKDC 341/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 ATM 122/4885ATR 316/4885PRKDC 365/4885

“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.