SCHEMBL3233758

SCHEMBL3233758

CN(c1cc(-c2ccccc2)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.39
SLC2A1 P11166 1/20 0.39
AKR1C1 Q04828 1/20 0.38
ADORA3 P0DMS8 3/20 0.36
TGM2 P21980 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
PTGS2 P35354 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ADORA2A P29274 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
TACR3 P29371 1/20 0.35
ADORA2B P29275 1/20 0.34
SYK P43405 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3232625 0.92 AKT1 (0.40) ADORA1SLC2A1ADORA3TGM2MAPK8
SCHEMBL3227453 0.84 AURKA (0.38) ADORA1SLC2A1AKR1C1ADORA3TGM2
SCHEMBL3234022 0.83 SYK (0.42) ADORA1AKR1C1ADORA3MAPK8MAPK10
SCHEMBL3233767 0.83 PTGS2 (0.34) ADORA1SLC2A1ADORA3TGM2MAPK8
SCHEMBL3227553 0.82 MAPT (0.41) ADORA1AKR1C1ADORA3ADORA2ATACR3
SCHEMBL3224000 0.82 SYK (0.44) ADORA1AKR1C1ADORA3MAPK8MAPK10
SCHEMBL3261619 0.82 VCP (0.42) ADORA1AKR1C1ADORA3MAPK8ADORA2A
Dimethylamine SCHEMBL3266676 0.82 SYK (0.40) ADORA1AKR1C1ADORA3MAPK8MAPK10
SCHEMBL3224082 0.81 AKR1C1 (0.43) ADORA1AKR1C1ADORA3MAPK8MAPK10
SCHEMBL3264006 0.81 SYK (0.42) ADORA1AKR1C1ADORA3MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 ADORA1 2916/4885SLC2A1 4009/4885AKR1C1 3588/4885

“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.