SCHEMBL1779019

SCHEMBL1779019

N#Cc1ccc2c(c1)c(Br)cn2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
G6PD P11413 1/20 0.34
KMO O15229 1/20 0.34
ELANE P08246 1/20 0.34
HTR6 P50406 1/20 0.34
RARG P13631 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PLA2G4A P47712 1/20 0.34
LTB4R Q15722 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29364477 0.80 HTR6 (0.43) HTR6MEN1KMT2A
SCHEMBL1894228 0.80 HTR6 (0.43) HTR6MEN1KMT2A
SCHEMBL15902288 0.79 EGFR (0.39) PTGDR2EGFRSRCCA1CA2
SCHEMBL21805281 0.76 CDK9 (0.36) ELANEAKR1C3AKR1C2
SCHEMBL20604680 0.76 KMO (0.46) PTGDR2EGFRSRCKMOCNR1
SCHEMBL23536738 0.75 KDM4E (0.40) KDM4EALDH1A1GLAHPGDHTT
SCHEMBL20604765 0.74 GSK3B (0.48) EGFRSRCCA1CA2ALDH1A1
SCHEMBL1777993 0.73 AKR1C3 (0.60) HTR6KDM4EALDH1A1HPGDTSHR
SCHEMBL20837916 0.72 CNR2 (0.42) PTGDR2KMOCNR1CNR2KDM4E
SCHEMBL2867015 0.72 RARG (0.38) PTGDR2EGFRSRCG6PDKMO

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-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-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-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-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 (2 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 PTGDR2 803/4885EGFR 1148/4885SRC 338/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PTGDR2 1583/4885EGFR 1555/4885SRC 228/4885

“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.