SCHEMBL178633

SCHEMBL178633

COc1ccc(-c2nc(C)c(N)c(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
ALDH1A1 P00352 4/20 0.48
ADORA1 P30542 4/20 0.48
HPGD P15428 2/20 0.48
ADORA2A P29274 3/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CLK4 Q9HAZ1 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL142549 0.76 KDM4E (0.54) DPP4CYP1A1CYP1A2CYP1B1ADORA3
SCHEMBL338452 0.75 CLK4 (0.64) CYP1A1CYP1A2CYP1B1ADORA3ALDH1A1
SCHEMBL110083 0.75 KDM4E (0.50) DPP4ADORA3ALDH1A1ADORA1KDM4E
SCHEMBL11468071 0.75 ADORA2A (0.49) DPP4CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL3418789 0.74 DYRK1A (0.58) CYP1A1CYP1A2CYP1B1ALDH1A1ADORA1
SCHEMBL669785 0.74 DYRK1A (0.58) CYP1A1CYP1A2CYP1B1ADORA3ALDH1A1
SCHEMBL10508211 0.74 ALDH1A1 (0.60) ALDH1A1ADORA1HPGDKDM4ELMNA
SCHEMBL15896952 0.73 CLK4 (0.61) CYP1A1CYP1A2CYP1B1ADORA3ALDH1A1
SCHEMBL2876553 0.73 CLK4 (0.61) CYP1A1CYP1A2CYP1B1ADORA3ALDH1A1
SCHEMBL10375260 0.73 SMN1; SMN2 (0.56) DPP4ADORA3ALDH1A1ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 DPP4 2042/4885CYP1A1 865/4885CYP1A2 1040/4885

“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.