SCHEMBL1777993

SCHEMBL1777993

COc1ccc2c(c1)c(Br)cn2C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.60
AKR1C2 P52895 2/20 0.60
AKR1C4 P17516 1/20 0.45
PTGS1 P23219 1/20 0.45
MTNR1A P48039 1/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 1/20 0.45
HTR6 P50406 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1357445 0.82 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL29992688 0.82 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL29992656 0.82 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL15902083 0.79 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C4PTGS1ALDH1A1
SCHEMBL1778371 0.78 LCK (0.45) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL21805281 0.76 CDK9 (0.36) AKR1C3AKR1C2
SCHEMBL1356595 0.76 ADRB2 (0.56) MTNR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2726199 0.75 AKR1C3 (0.66) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL23536738 0.75 KDM4E (0.40) AKR1C3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29261926 0.74 HTR6 (0.77) AKR1C3AKR1C2MTNR1AHTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-7259154-B2 Anticancer agents; asthma; rhintis; vision disorders; skin disorders; antiarthritic agents; antiinflammatory agents; antiallergens AVENTIS PHARMACEUTICALS INC. (US) 2007-08-21 US disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040142947-A1 Pyrrolopyrimidines AVENTIS PHARMACEUTICALS, INC. 2004-07-22 US disclosed
EP-1404676-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000695-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-01-03 WO disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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 (3 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 AKR1C3 1503/4885AKR1C2 1390/4885AKR1C4 1500/4885
US-20040142947-A1 Pyrrolopyrimidines DPYD, TYMP, PNPO AKR1C3 399/4885AKR1C2 464/4885AKR1C4 340/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 AKR1C3 1785/4885AKR1C2 1920/4885AKR1C4 2466/4885

“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.