SCHEMBL8145017

SCHEMBL8145017

COc1ccc2c(OC)nc(-n3cccn3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 1/20 0.39
VDR P11473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
AHR P35869 1/20 0.39
NR1I3 Q14994 1/20 0.39
ACHE P22303 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
SCHEMBL15483494 0.87 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8142323 0.77 RAB9A (0.42) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3374484 0.76 NPC1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8133581 0.76 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8140910 0.76 PDE5A (0.55) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL743993 0.75 CYP1A2 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL745082 0.75 CYP1A2 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8133672 0.74 CCR4 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL8140706 0.74 CCR4 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL12468515 0.73 CYP2D6 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMAPT

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 KDM4E 2496/4885ALDH1A1 3957/4885SMN1; SMN2 1564/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885SMN1; SMN2 1564/4885

“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.