SCHEMBL3224082

SCHEMBL3224082

Nc1cc(-c2ccccc2)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
ADORA1 P30542 7/20 0.39
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
SYK P43405 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
PTP4A3 O75365 1/20 0.37
HDAC1 Q13547 1/20 0.37
IKBKB O14920 1/20 0.37
AKT1 P31749 2/20 0.37
AKT2 P31751 2/20 0.37
AGPAT2 O15120 1/20 0.36

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
SCHEMBL3234072 0.89 AKT1 (0.46) MAPK8MAPK10ADORA1ADORA2AADORA3
SCHEMBL3224000 0.85 SYK (0.44) AKR1C1MAPK8MAPK10ADORA1ADORA2A
SCHEMBL3227353 0.83 LPAR1 (0.40) AKR1C1MAPK8MAPK10ADORA1ADORA2A
SCHEMBL3227518 0.83 MAPT (0.48) AKR1C1MAPK8SYKAGPAT2
SCHEMBL3234022 0.82 SYK (0.42) AKR1C1MAPK8MAPK10ADORA1ADORA2A
SCHEMBL3233758 0.81 ADORA1 (0.39) AKR1C1MAPK8MAPK10ADORA1ADORA2A
SCHEMBL3229491 0.81 VCP (0.49) AKR1C1ADORA1ADORA2AADORA3SYK
SCHEMBL3228814 0.81 VCP (0.52) ADORA1ADORA2AADORA3SYK
SCHEMBL13456895 0.81 ADORA1 (0.41) AKR1C1ADORA1ADORA2AADORA3SYK
SCHEMBL3261619 0.81 VCP (0.42) AKR1C1MAPK8ADORA1ADORA2AADORA3

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 AKR1C1 3588/4885MAPK8 1505/4885MAPK10 1581/4885

“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.