SCHEMBL17754183

SCHEMBL17754183

COc1nccc(-c2ccc(C)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PDPK1 O15530 1/20 0.51
NPC1 O15118 2/20 0.46
MAPT P10636 4/20 0.45
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42

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
SCHEMBL2035174 0.83 MEN1 (0.63) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL14148106 0.82 MEN1 (0.50) MEN1KMT2AMAPTATMCYP1A2
SCHEMBL23130351 0.81 PDPK1 (0.48) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL12927875 0.81 PDPK1 (0.48) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL23130352 0.81 PDPK1 (0.48) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL17752212 0.81 PDPK1 (0.48) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL28815700 0.80 PDPK1 (0.47) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL17469531 0.79 PDPK1 (0.52) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL24774864 0.78 PDPK1 (0.46) MEN1KMT2APDPK1NPC1MAPT
SCHEMBL24775236 0.78 PDPK1 (0.46) MEN1KMT2APDPK1NPC1MAPT

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-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT MEN1 3659/4885KMT2A 1557/4885PDPK1 1811/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT MEN1 3659/4885KMT2A 1557/4885PDPK1 1811/4885

“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.