SCHEMBL13757948

SCHEMBL13757948

CC(C)(C)Oc1ccnc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ITK Q08881 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL15483941 0.80 KMT2A (0.50) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL29524578 0.80 KMT2A (0.50) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL8662259 0.79 MAPT (0.36) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL19015307 0.78 MAPK8 (0.40) MAPK1
SCHEMBL13763835 0.77 ALDH1A1 (0.47) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL8026938 0.77 MAPK1 (0.43) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL5119716 0.75 MAPK1 (0.59) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL13757409 0.73 LMNA (0.56) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL16420290 0.73 SYK (0.51) KMT2AMAPTMEN1KDM4EL3MBTL1
SCHEMBL31162575 0.73 SYK (0.51) KMT2AMAPTMEN1KDM4EL3MBTL1

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 3 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-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US 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 KMT2A 3803/4885MAPT 2923/4885MEN1 4292/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885MAPT 2923/4885MEN1 4292/4885

“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.