SCHEMBL1502181

SCHEMBL1502181

Cn1cncc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.64
ERBB2 P04626 11/20 0.64
AURKB Q96GD4 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
CHEK2 O96017 1/20 0.60
ROS1 P08922 1/20 0.60
FLT3 P36888 1/20 0.60
ERBB4 Q15303 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
RIPK2 O43353 1/20 0.59
INCENP Q9NQS7 1/20 0.53
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
BRAF P15056 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51

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
Dimethylamine SCHEMBL6768117 0.89 EGFR (0.59) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL4534301 0.87 ERBB2 (0.60) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL6768114 0.86 EGFR (0.56) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL6768833 0.85 EGFR (0.64) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL6767222 0.85 EGFR (0.64) EGFRERBB2AURKBCLK4CHEK2
Hydrochloric Acid SCHEMBL6766752 0.84 EGFR (0.63) EGFRERBB2AURKBCLK4CHEK2
Dimethylamine SCHEMBL6767938 0.81 EGFR (0.63) EGFRERBB2AURKBCLK4CHEK2
Dimethylamine SCHEMBL6764125 0.81 EGFR (0.63) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL6766836 0.80 EGFR (0.72) EGFRERBB2AURKBCLK4CHEK2
SCHEMBL6768257 0.80 EGFR (0.68) EGFRERBB2AURKBCLK4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (3 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK EGFR 354/4885ERBB2 35/4885AURKB 175/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT EGFR 1049/4885ERBB2 925/4885AURKB 588/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT EGFR 1049/4885ERBB2 925/4885AURKB 588/4885

“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.