SCHEMBL4502909

SCHEMBL4502909

Cn1c(C2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
EZH2 Q15910 2/20 0.37
HTR2A P28223 1/20 0.36
GRM2 Q14416 1/20 0.36
AKR1B1 P15121 1/20 0.35
TNIK Q9UKE5 1/20 0.34
WDR5 P61964 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
SCHEMBL13672800 0.86 WDR5 (0.38) EZH2HTR2AGRM2AKR1B1WDR5
SCHEMBL4484082 0.85 AKR1B1 (0.37) EZH2HTR2AGRM2AKR1B1TNIK
SCHEMBL4489696 0.85 EZH2 (0.37) EZH2HTR2AGRM2AKR1B1TNIK
SCHEMBL14441029 0.84 AKR1B1 (0.36) MAPK1EZH2HTR2AGRM2AKR1B1
SCHEMBL13672787 0.84 AKR1B1 (0.38) HTR2AGRM2AKR1B1TNIKWDR5
SCHEMBL5449046 0.83 AKR1B1 (0.35) HTR2AGRM2AKR1B1TNIKWDR5
SCHEMBL4486044 0.82 CNR1 (0.40)
SCHEMBL4479511 0.81 AKR1B1 (0.36) MAPK1HTR2AGRM2AKR1B1TNIK
SCHEMBL31060990 0.81 AKR1B1 (0.36) MAPK1HTR2AGRM2AKR1B1TNIK
SCHEMBL5446552 0.81 POLB (0.38) HTR2AGRM2AKR1B1TNIKWDR5

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MAPK1 855/4885EZH2 2885/4885HTR2A 2903/4885

“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.