SCHEMBL4069291

SCHEMBL4069291

COc1ccnc2c(C)noc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 2/20 0.34
BRD2 P25440 2/20 0.34
BRD3 Q15059 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL10200851 0.77 CCR1 (0.45) ALDH1A1L3MBTL1HTTBRD4BRD2
SCHEMBL4064484 0.74 MAPK1 (0.42) MEN1KMT2AMAPTL3MBTL1ALOX15
SCHEMBL20051434 0.72 LMNA (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL30963128 0.72 LMNA (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL12946297 0.71 CYP1A2 (0.31) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13313439 0.71 HTR1A (0.48) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL185654 0.70 CCR1 (0.50) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL6993519 0.69 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL4065234 0.69 CHEK1 (0.42) MEN1KMT2AALDH1A1CLK4HPGD
SCHEMBL8142955 0.68 MAOA (0.39) ALDH1A1MAPTBRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 EP disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 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 (3 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885ALDH1A1 3957/4885
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT MEN1 3587/4885KMT2A 3447/4885ALDH1A1 3050/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885ALDH1A1 3957/4885

“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.