SCHEMBL15912059

SCHEMBL15912059

CC(C)Nc1ccnc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
NR4A2 P43354 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NTSR1 P30989 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 2/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL15268003 0.79 SLC40A1 (0.43) IDO1L3MBTL1MAPTKMT2ANPC1
SCHEMBL13107475 0.78 NR4A2 (0.55) IDO1NR4A2L3MBTL1MAPTTDP1
SCHEMBL15912060 0.78 HTR1A (0.58) IDO1NR4A2L3MBTL1MAPTTDP1
SCHEMBL13230496 0.77 NR4A2 (0.41) IDO1NR4A2L3MBTL1MAPTTDP1
SCHEMBL801609 0.77 IDO1 (0.46) IDO1NR4A2L3MBTL1MAPTTDP1
SCHEMBL13230488 0.76 MEN1 (0.57) IDO1L3MBTL1MAPTTDP1KMT2A
SCHEMBL13230422 0.75 EGFR (0.49) IDO1MAPTTDP1KMT2ANPC1
SCHEMBL9820409 0.75 MAPT (0.40) L3MBTL1MAPTTDP1GAABLM
SCHEMBL13230455 0.74 IDO1 (0.44) IDO1L3MBTL1MAPTKMT2ANPC1
SCHEMBL13230516 0.73 IDH1 (0.40) IDO1NR4A2L3MBTL1MAPTTDP1

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-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 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-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS IDO1 2992/4885NR4A2 2867/4885L3MBTL1 2364/4885

“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.