SCHEMBL5743583

SCHEMBL5743583

CCNc1ncccc1C(=O)Nc1c(C)cc(Cl)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
CLCN2 P51788 1/20 0.38

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
SCHEMBL8304743 0.85 KMT2A (0.46) KDRKMT2AL3MBTL1LMNAGAA
SCHEMBL5744771 0.85 ALDH1A1 (0.52) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL30435330 0.83 LMNA (0.42) KMT2AL3MBTL1LMNAGAAMAPT
SCHEMBL29036570 0.83 LMNA (0.42) KMT2AL3MBTL1LMNAGAAMAPT
SCHEMBL5743146 0.81 KDR (0.44) KDRKMT2ALMNAMAPTMEN1
SCHEMBL6952426 0.81 KDR (0.45) KDRKMT2ALMNAGAAKDM4E
SCHEMBL8299609 0.80 KDR (0.48) KDRKMT2AL3MBTL1LMNAMAPT
SCHEMBL8301058 0.77 MAPT (0.42) KDRKMT2AL3MBTL1LMNAGAA
SCHEMBL3569657 0.72 KDM4E (0.54) KDRKMT2AL3MBTL1LMNAGAA
SCHEMBL7740391 0.71 KMT2A (0.41) KDRKMT2AL3MBTL1LMNAGAA

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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 EP disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 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 (1 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-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E KDR 4500/4885KMT2A 2311/4885L3MBTL1 176/4885

“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.