SCHEMBL1484469

SCHEMBL1484469

Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
B3GNT2 Q9NY97 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPD P32754 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL642371 0.91 KDM4E (0.36) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752403 0.90 KMT2A (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12828505 0.90 KDM4E (0.33) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752290 0.89 B3GNT2 (0.41) KDM4EALDH1A1B3GNT2KMT2AMEN1
SCHEMBL12752335 0.89 KMT2A (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752396 0.88 KDM4E (0.33) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752407 0.88 MEN1 (0.34) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1484494 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752358 0.88 MEN1 (0.32) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752363 0.88 KMT2A (0.34) KDM4EALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KDM4E 790/4885ALDH1A1 1800/4885HPGD 2033/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KDM4E 790/4885ALDH1A1 1800/4885HPGD 2033/4885

“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.