SCHEMBL501942

SCHEMBL501942

Cc1cc(C#N)cc(C(=O)c2c(C3CC3)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
PKM P14618 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
HPGD P15428 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
FASN P49327 2/20 0.30
MAPT P10636 1/20 0.30
UBE2N P61088 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PANK3 Q9H999 1/20 0.30
DPP4 P27487 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
SCHEMBL10204752 0.94 MEN1 (0.31) KDM4EALDH1A1PKMTPH1TPH2
SCHEMBL501998 0.86 VNN1 (0.37) ALDH1A1CNR1CNR2MAPTGRIN1
SCHEMBL10204449 0.86 KDM4E (0.34) KDM4EALDH1A1PKMTPH1TPH2
SCHEMBL10204301 0.84 KDM4E (0.35) KDM4EALDH1A1PKMHPGDCNR1
SCHEMBL10204387 0.80 KDM4E (0.32) KDM4EALDH1A1PKMHPGDHSD17B10
SCHEMBL13486038 0.80 MEN1 (0.32) KDM4EALDH1A1PKM
SCHEMBL10204776 0.80 MEN1 (0.32) KDM4EALDH1A1PKM
SCHEMBL10204399 0.80 KDM4E (0.32) KDM4EALDH1A1PKMHPGDGRIN1
SCHEMBL501373 0.79 KMT2A (0.36) KDM4EPKM
SCHEMBL501684 0.79 MEN1 (0.33) KDM4EALDH1A1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H KDM4E 1269/4885ALDH1A1 2535/4885PKM 2813/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H KDM4E 1234/4885ALDH1A1 2541/4885PKM 2839/4885

“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.