SCHEMBL481871

SCHEMBL481871

COc1ccc(CNc2nc(-c3cccc4ncccc34)cnc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
EGFR P00533 1/20 0.51
POLB P06746 1/20 0.51
NR2F2 P24468 1/20 0.51
NCF1 P14598 1/20 0.46
USP1 O94782 2/20 0.45
WDR48 Q8TAF3 2/20 0.45
SYK P43405 5/20 0.45
NPC1 O15118 1/20 0.43
BMPR1B O00238 1/20 0.43
BMP4 P12644 1/20 0.43
KDR P35968 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
ATR Q13535 1/20 0.43
ACP1 P24666 1/20 0.43
RECQL P46063 1/20 0.42
SLC2A1 P11166 1/20 0.42
AURKA O14965 1/20 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
SCHEMBL14471599 0.78 USP1 (0.58) APPEGFRPOLBNR2F2USP1
SCHEMBL3955508 0.76 ATR (0.49) APPEGFRSYKATRACP1
SCHEMBL4408807 0.76 SYK (0.45) SYKNPC1BMPR1BBMP4KDR
SCHEMBL3953843 0.73 APP (0.51) APPEGFRPOLBNR2F2NCF1
SCHEMBL481930 0.72 ATR (0.59) NCF1SYKACVR1ATR
SCHEMBL13273759 0.72 NCF1 (0.55) APPEGFRPOLBNR2F2NCF1
SCHEMBL3956534 0.71 ATR (0.48) NPC1ATRRPS6KB1
SCHEMBL3955506 0.71 ATR (0.48) NPC1ATRRPS6KB1
SCHEMBL21167333 0.71 SYK (0.48) SYKNPC1KDRATRAURKA
SCHEMBL481361 0.71 MTOR (0.61) BMPR1BBMP4KDRBMPR1AACVRL1

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 APP 3873/4885EGFR 627/4885POLB 1563/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 APP 3658/4885EGFR 1009/4885POLB 1632/4885

“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.