SCHEMBL4728326

SCHEMBL4728326

Nc1nccnc1C(=NO)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
TLR7 Q9NYK1 1/20 0.52
ALDH1A1 P00352 3/20 0.50
RIPK1 Q13546 1/20 0.50
CDK8 P49336 3/20 0.46
KDR P35968 3/20 0.46
AURKB Q96GD4 2/20 0.46
PLK4 O00444 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKCG P05129 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
RPS6KB1 P23443 1/20 0.46
EPHA2 P29317 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
SCHEMBL4728320 1.00 MAPT (0.54) MAPTKDM4ETLR7ALDH1A1RIPK1
SCHEMBL14214642 0.82 MAPT (0.56) MAPTKDM4ETLR7ALDH1A1RIPK1
SCHEMBL146907 0.81 IKBKE (0.52) MAPTALDH1A1KDRAURKBROCK2
SCHEMBL146908 0.81 IKBKE (0.52) MAPTALDH1A1KDRAURKBROCK2
SCHEMBL4729189 0.80 RIPK1 (0.48) RIPK1CDK8KDRLCKCSF1R
SCHEMBL4729197 0.80 RIPK1 (0.48) RIPK1CDK8KDRLCKCSF1R
SCHEMBL4727678 0.78 GAA (0.58) MAPTALDH1A1KDRMAPK14GAA
SCHEMBL4727681 0.78 GAA (0.58) MAPTALDH1A1KDRMAPK14GAA
SCHEMBL4728327 0.75 IDO1 (0.53) MAPTKDM4ETLR7IDO1
SCHEMBL14184768 0.74 MEN1 (0.47) MAPTKDM4EALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US 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 (1 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT MAPT 2706/4885KDM4E 1052/4885TLR7 2234/4885

“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.