SCHEMBL19398342

SCHEMBL19398342

CC1=C(Cl)C(Cl)=C(Cl)C(=O)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.62
BCHE P06276 2/20 0.62
ACHE P22303 2/20 0.62
CES1 P23141 2/20 0.62
NSD2 O96028 1/20 0.62
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL5588953 0.90 KDM4E (0.47) CES2BCHEACHECES1NSD2
SCHEMBL13928084 0.81 CES2 (0.53) CES2BCHEACHECES1NSD2
SCHEMBL79009 0.79 CES2 (1.00) CES2BCHEACHECES1NSD2
SCHEMBL7896994 0.78 CES2 (0.60) CES2BCHEACHECES1NSD2
SCHEMBL13928036 0.78 CES2 (0.56) CES2BCHEACHECES1NSD2
SCHEMBL20867386 0.76 CES2 (0.53) CES2BCHEACHECES1NSD2
SCHEMBL1392670 0.76 CES1 (0.47) CES2BCHEACHECES1NSD2
SCHEMBL2575338 0.76 CES1 (0.57) CES2BCHEACHECES1NSD2
SCHEMBL13453022 0.73 CES2 (0.53) CES2BCHEACHECES1NSD2
SCHEMBL21327556 0.71 CES2 (0.90) CES2BCHEACHECES1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275287-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF JANUS BIOTHERAPEUTICS, INC. (US) 2017-09-28 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-20170275287-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF TLR7, C5, CD4 CES2 2834/4885BCHE 1739/4885ACHE 1410/4885

“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.