SCHEMBL7977849

SCHEMBL7977849

COc1ccn2c(I)c(C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ADORA3 P0DMS8 13/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
METTL3 Q86U44 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FLT3 P36888 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
SCHEMBL22153369 0.83 PDE10A (0.46) PDE10AADORA3AKT1AKT2METTL3
SCHEMBL10252534 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22146337 0.78 ALDH1A1 (0.42) PDE10AADORA3AKT1AKT2METTL3
SCHEMBL22152284 0.78 ADORA3 (0.38) PDE10AADORA3AKT1AKT2METTL3
SCHEMBL4801122 0.76 ALDH1A1 (0.46) PDE10AADORA3METTL3KDM4EALDH1A1
SCHEMBL15766770 0.76 KDM4E (0.38) AKT2KDM4EALDH1A1NPC1HPGD
SCHEMBL15207705 0.76 PARP1 (0.38) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL23414771 0.75 KDM4E (0.66) ADORA3METTL3KDM4EALDH1A1ADORA1
SCHEMBL21893931 0.75 MAPT (0.45) METTL3KDM4EALDH1A1NPC1PKM
SCHEMBL4538242 0.75 KMT2A (0.57) METTL3KDM4EALDH1A1NPC1PKM

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 PDE10A 3247/4885ADORA3 4831/4885AKT1 720/4885

“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.