SCHEMBL1336853

SCHEMBL1336853

CCOC(=O)c1ncc(OC)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL1336916 0.90 MEN1 (0.42) LMNAHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4477132 0.89 LMNA (0.50) LMNAHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL2728496 0.87 EGLN1 (0.44) LMNAHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4482031 0.83 P2RX7 (0.44) P2RX7LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4473406 0.83 ALDH1A1 (0.42) P2RX7LMNAHTTSMN1; SMN2MEN1
SCHEMBL10233986 0.83 EGLN1 (0.43) P2RX7LMNAHTTSMN1; SMN2MEN1
SCHEMBL6031443 0.82 MEN1 (0.37) LMNAHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL1335829 0.81 MEN1 (0.37) P2RX7LMNAHTTSMN1; SMN2MEN1
SCHEMBL1337301 0.79 ALDH1A1 (0.38) P2RX7LMNAHTTSMN1; SMN2MEN1
SCHEMBL6032207 0.79 MEN1 (0.34) P2RX7LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-20100216834-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-26 US disclosed
US-20100216834-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-26 US disclosed
US-20100216834-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-26 US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
EP-2084160-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
WO-2008048538-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2008-04-24 WO disclosed
WO-2008048538-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2008-04-24 WO disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 EP disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 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 (6 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-20100216834-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 P2RX7 2983/4885LMNA 2777/4885HTT 4845/4885
US-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H P2RX7 3897/4885LMNA 2654/4885HTT 4776/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI P2RX7 4051/4885LMNA 2820/4885HTT 4717/4885
US-20080280945-A1 Crystalline forms of an HIV integrase inhibitor TYMP, SAMHD1, ACIN1 P2RX7 4649/4885LMNA 2302/4885HTT 1519/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI P2RX7 4051/4885LMNA 2820/4885HTT 4717/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI P2RX7 4051/4885LMNA 2820/4885HTT 4717/4885

“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.