SCHEMBL5129252

SCHEMBL5129252

CC(C)(CN)Oc1cc(Nc2c(Cl)cncc2Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.41
TDO2 P48775 6/20 0.41
IDO1 P14902 3/20 0.41
EGFR P00533 2/20 0.38
ITK Q08881 2/20 0.38
SRC P12931 2/20 0.36
PRKCQ Q04759 2/20 0.34
CSF1R P07333 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE4B Q07343 1/20 0.31

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
SCHEMBL5132193 0.72 LMNA (0.51) LMNA
SCHEMBL4832295 0.72 UTS2R (0.52) EGFRCSF1RKDRPDE4B
SCHEMBL5122523 0.70 ABCG2 (0.59) LMNA
SCHEMBL5129444 0.69 GAK (0.57) EGFRKDR
SCHEMBL5126891 0.69 GAK (0.38) EGFRITKKDR
SCHEMBL15525264 0.67 TRPV1 (0.43) BCL6KIT
SCHEMBL6334528 0.63 LMNA (0.51) LMNA
SCHEMBL2727828 0.62 RAPGEF4 (0.46) BCL6TDO2IDO1RAPGEF4
SCHEMBL16585428 0.61 TSHR (0.41) LMNA
SCHEMBL9097313 0.59 CSNK2A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BCL6 4863/4885TDO2 1923/4885IDO1 1576/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BCL6 4863/4885TDO2 1923/4885IDO1 1576/4885

“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.