SCHEMBL3605929

SCHEMBL3605929

COc1cc(OC)c2[nH]c(C(=O)NC3CCCNC3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
OPRK1 P41145 1/20 0.57
SYK P43405 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PBK Q96KB5 7/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL3605925 1.00 MAPK1 (0.57) MAPK1OPRK1SYKMEN1KMT2A
SCHEMBL3600313 0.94 MAPK1 (0.48) MAPK1OPRK1SYKMEN1KMT2A
SCHEMBL3600317 0.94 MAPK1 (0.48) MAPK1OPRK1SYKMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3611914 0.87 MAPK1 (0.43) MAPK1OPRK1SYKPBKDRD4
SCHEMBL3601144 0.83 MAPK1 (0.57) MAPK1OPRK1MEN1KMT2ARAB9A
SCHEMBL3601142 0.83 MAPK1 (0.57) MAPK1OPRK1MEN1KMT2ARAB9A
SCHEMBL3591415 0.81 MAPK1 (0.60) MAPK1OPRK1SYKMEN1KMT2A
SCHEMBL3591417 0.81 MAPK1 (0.60) MAPK1OPRK1SYKMEN1KMT2A
SCHEMBL3609420 0.80 RAB9A (0.54) MAPK1OPRK1MEN1KMT2ARAB9A
SCHEMBL3609424 0.80 RAB9A (0.54) MAPK1OPRK1MEN1KMT2ARAB9A

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT MAPK1 4292/4885OPRK1 609/4885SYK 3494/4885

“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.