SCHEMBL481659

SCHEMBL481659

COC(=O)c1ccc(-c2cnc(N)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.49
FEN1 P39748 3/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TLR8 Q9NR97 1/20 0.45
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABL1 P00519 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
IKBKE Q14164 1/20 0.43

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
SCHEMBL31056701 0.83 TDP1 (0.50) KDM4EALDH1A1CA1CA2CA12
SCHEMBL29324954 0.83 TDP1 (0.50) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31056870 0.81 ALDH1A1 (0.48) KDM4EALDH1A1CA1CA2CA12
SCHEMBL30436770 0.81 MAPT (0.51) KDM4EALDH1A1CA1CA2CA12
SCHEMBL595530 0.81 MAPT (0.51) KDM4EALDH1A1CA1CA2CA12
SCHEMBL29324953 0.81 ALDH1A1 (0.48) KDM4EALDH1A1CA1CA2CA12
SCHEMBL5543060 0.81 MKNK1 (0.65) ALOX5APFEN1KDM4EALDH1A1CA1
SCHEMBL29598250 0.80 MAPK1 (0.61) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15203084 0.80 MKNK1 (0.64) ALOX5APFEN1MAPK1SMN1; SMN2
SCHEMBL15203108 0.80 CSNK2A1 (0.58) ALOX5APFEN1KDM4EALDH1A1SMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194741-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2018-07-12 US disclosed
US-20180194741-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2018-07-12 US disclosed
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
EP-3118198-A1 ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2017-01-18 EP disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-20150031682-A1 ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-01-29 US 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
CN-101573360-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2009-11-04 CN 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 (4 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-20150031682-A1 ANTI-MALARIAL AGENTS QDPR, DHFR, IL5 ALOX5AP 131/4885FEN1 4372/4885KDM4E 578/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA ALOX5AP 1945/4885FEN1 2515/4885KDM4E 2244/4885
US-20180194741-A1 NEW ANTI-MALARIAL AGENTS QDPR, API5, DHFR ALOX5AP 176/4885FEN1 4608/4885KDM4E 561/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 ALOX5AP 1433/4885FEN1 2236/4885KDM4E 2113/4885

“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.