SCHEMBL1484628

SCHEMBL1484628

CC(C)c1c(-n2ccc3c(C#N)cc(Cl)cc32)[nH]c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.35
IDO1 P14902 4/20 0.33
PIK3CA P42336 3/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 4/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
IDH2 P48735 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHEK1 O14757 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL1484637 0.87 KDM5A (0.34) KDM5APIK3CA
SCHEMBL1484669 0.81 THRA (0.37) KDM5APIK3CAKDM4EALDH1A1THRA
SCHEMBL1484506 0.70 THRA (0.34) KDM5AKDM4EALDH1A1THRATHRB
SCHEMBL14805105 0.69 PGR (0.44) PIK3CAKDM4EALDH1A1TDP1
SCHEMBL501247 0.60 VNN1 (0.34) IDO1TDO2
SCHEMBL18310661 0.59 ALDH1A1 (0.34) KDM5AKDM4EALDH1A1TDP1
SCHEMBL26458345 0.58 KHK (0.36) KDM5AKDM4EALDH1A1IDH1TDP1
SCHEMBL1484455 0.58 TYMP (0.45)
SCHEMBL501197 0.57 CNR1 (0.37) THRB
SCHEMBL16463240 0.56 SMN1; SMN2 (0.36) KDM4EALDH1A1THRATHRBTDP1

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 6 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-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
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 KDM5A 1562/4885IDO1 2697/4885PIK3CA 70/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KDM5A 1562/4885IDO1 2697/4885PIK3CA 70/4885

“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.