SCHEMBL8140229

SCHEMBL8140229

COc1ccc2c(OC)nc(-c3cccc(C)n3)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ADORA1 P30542 1/20 0.35
TGFBR1 P36897 5/20 0.34
CYP3A4 P08684 1/20 0.34
VDR P11473 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
AHR P35869 1/20 0.34
NR1I3 Q14994 1/20 0.34
MAPK14 Q16539 2/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL15483454 0.88 CCR1 (0.41) CCR1CCR8CYP1A2CYP1A1CYP1B1
SCHEMBL8149470 0.85 RAD52 (0.39) CCR1CCR8CYP1A2CYP1A1CYP1B1
SCHEMBL2843197 0.85 CCR1 (0.39) CCR1CCR8CYP1A2CYP1A1CYP1B1
SCHEMBL8143942 0.79 KMT2A (0.51) CYP1A2CYP3A4VDRCYP2C9CYP2B6
SCHEMBL8145589 0.76 MAPT (0.41) CYP1A2CYP1A1CYP1B1CYP3A4VDR
SCHEMBL13757368 0.75 MAPT (0.54) CYP1A2CYP3A4KMT2AALDH1A1MEN1
SCHEMBL996497 0.75 CCR1 (0.42) CCR1CCR8CYP1A2CYP1A1CYP1B1
SCHEMBL8145959 0.74 DHPS (0.40) KMT2AALDH1A1MEN1KDM4EL3MBTL1
SCHEMBL6121176 0.68 PDE10A (0.46) ADORA1TGFBR1MAPK14ALDH1A1KDM4E
SCHEMBL13763612 0.68 PDE4D (0.39) ALDH1A1KDM4EHPGDNPC1RAB9A

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-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
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
WO-2009005677-A2 ANTIVIRAL COMPOUNDS 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CCR1 795/4885CCR8 573/4885CYP1A2 3826/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CCR1 795/4885CCR8 573/4885CYP1A2 3826/4885

“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.