SCHEMBL4051675

SCHEMBL4051675

COc1ccc(N(O)C(=N)c2nonc2N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 2/20 0.36
IDO1 P14902 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
KIT P10721 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
SCHEMBL16321277 0.85 IDO1 (0.39) RAB9AMAPTGAAKMT2AIDO1
SCHEMBL17595973 0.82 MAPT (0.41) SMN1; SMN2RAB9AMAPTGAAKMT2A
SCHEMBL6046626 0.81 IDO1 (0.49) RAB9AKMT2AMEN1IDO1ALDH1A1
SCHEMBL6046652 0.81 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL12054283 0.77 AURKA (0.45) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL14693884 0.76 IDO1 (0.53) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL4039861 0.74 IDO1 (0.37) SMN1; SMN2MAPTKMT2AIDO1L3MBTL1
SCHEMBL9995495 0.74 TSHR (0.38) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL4052452 0.72 PKM (0.43) SMN1; SMN2MAPTKMT2AMEN1IDO1
SCHEMBL14693803 0.72 POLB (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US claimed
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 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-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT SMN1; SMN2 4675/4885NPC1 4033/4885RAB9A 4389/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT SMN1; SMN2 4675/4885NPC1 4033/4885RAB9A 4389/4885

“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.