SCHEMBL1484587

SCHEMBL1484587

CCc1c(Nc2cc(C)cc(C)c2)nc(OC)nc1OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRHR1 P34998 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
POLB P06746 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
SCHEMBL12752578 0.86 KDR (0.38) MAPTRETKIF5BKDRRAPGEF4
SCHEMBL6637771 0.78 ALDH1A1 (0.37) RETKIF5BKDRRAPGEF4MEN1
SCHEMBL7758838 0.72 THRB (0.35) LMNACRHR1
SCHEMBL23264142 0.71 TSHR (0.37) TSHR
SCHEMBL7756595 0.69 TAAR1 (0.32)
SCHEMBL3638759 0.68 TLR8 (0.34) CRHR1
SCHEMBL501295 0.66 CYP1A2 (0.47) MAPTMEN1LMNAKMT2ACRHR1
SCHEMBL25622902 0.66 TSHR (0.33) TSHRCRHR1
SCHEMBL501403 0.65 PRKCA (0.33) CRHR1
SCHEMBL2673762 0.63 OPRM1 (0.39) MAPTTSHRKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784532-B Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-10-22 CN 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-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
CN-101784532-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC 2010-07-21 CN 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 MAPT 437/4885RET 3951/4885KIF5B 2642/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H MAPT 437/4885RET 3951/4885KIF5B 2642/4885

“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.