SCHEMBL20002515

SCHEMBL20002515

OC(c1cccc(-n2ccnc2)c1)c1cccc2cncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 1/20 0.40
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ACP1 P24666 1/20 0.35
ENPP2 Q13822 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL10764001 0.81 CYP3A4 (0.59) IDO1CYP3A4CYP2A6CYP19A1CYP11B1
SCHEMBL18137634 0.79 IDO1 (0.48) IDO1CYP11B2TDO2
SCHEMBL20002536 0.79 IDO1 (0.41) IDO1CYP3A4MEN1ALOX15TSHR
SCHEMBL20002514 0.77 IDO1 (0.53) IDO1CYP19A1TDO2
SCHEMBL20002516 0.77 KMO (0.42) IDO1CYP3A4CYP19A1TDO2
SCHEMBL20002535 0.74 IDO1 (0.38) IDO1TSHRTDO2
SCHEMBL20001809 0.74 IDO1 (0.55) IDO1TDO2
SCHEMBL10758443 0.74 CYP4Z1 (0.51) IDO1CYP3A4
SCHEMBL10759353 0.74 IDO1 (0.49) IDO1CYP3A4CYP2A6CYP19A1CYP11B1
SCHEMBL5194478 0.72 IDO1 (0.47) IDO1CYP3A4CYP2A6CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 IDO1 1/4885CYP3A4 140/4885CYP2A6 193/4885

“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.