SCHEMBL2187372

SCHEMBL2187372

c1ccc2nc(-n3cnc4ccccc43)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.55
MKNK1 Q9BUB5 7/20 0.50
LCK P06239 3/20 0.50
MKNK2 Q9HBH9 5/20 0.49
FGFR1 P11362 1/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL31722849 0.83 POLB (0.70) ROCK1POLBHTTMKNK1LCK
SCHEMBL2147667 0.83 POLB (0.70) ROCK1POLBHTTMKNK1LCK
SCHEMBL14525195 0.81 ROCK1 (0.51) ROCK1POLBHTTMKNK1LCK
SCHEMBL31241183 0.81 POLB (0.67) ROCK1POLBHTTMKNK1LCK
SCHEMBL4974842 0.78 ROCK1 (0.51) ROCK1POLBHTTMKNK1LCK
SCHEMBL2186020 0.76 CDC7 (0.54) ROCK1HTTMKNK1MKNK2MAPT
SCHEMBL11988769 0.76 ALDH1A1 (0.47) HTTMAPTRAB9A
SCHEMBL4813477 0.76 POLB (0.60) ROCK1POLBHTTMKNK1LCK
SCHEMBL16277601 0.76 CYP1A2 (0.39) ROCK1POLBHTTMKNK1LCK
SCHEMBL17351699 0.75 FGFR1 (0.62) ROCK1POLBHTTMKNK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-8247088-B2 Emitting complex for electroluminescent devices GLOBAL OLED TECHNOLOGY LLC (US) 2012-08-21 US disclosed
US-8247088-B2 Emitting complex for electroluminescent devices GLOBAL OLED TECHNOLOGY LLC (US) 2012-08-21 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100052516-A1 EMITTING COMPLEX FOR ELECTROLUMINESCENT DEVICES GLOBAL OLED TECHNOLOGY LLC 2010-03-04 US disclosed
US-20100052516-A1 EMITTING COMPLEX FOR ELECTROLUMINESCENT DEVICES GLOBAL OLED TECHNOLOGY LLC 2010-03-04 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20090036485-A1 Quinoline derivatives JUNG FREDERIC HENRI 2009-02-05 US disclosed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 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 (6 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 ROCK1 2588/4885POLB 1806/4885HTT 3750/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 ROCK1 2588/4885POLB 1806/4885HTT 3750/4885
US-20090036485-A1 Quinoline derivatives AQP3, PGF, AQP1 ROCK1 492/4885POLB 1189/4885HTT 887/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ROCK1 281/4885POLB 2260/4885HTT 3230/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 ROCK1 2588/4885POLB 1806/4885HTT 3750/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 ROCK1 2588/4885POLB 1806/4885HTT 3750/4885

“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.