SCHEMBL406014

SCHEMBL406014

CCc1ccc(NN)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
DEGS1 O15121 1/20 0.41
SYK P43405 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL9293689 0.81 NFKB1 (0.50) KDM4EGAAMAPTMEN1LMNA
SCHEMBL12020150 0.81 HCAR3 (0.46) KDM4EL3MBTL1DEGS1SYKNPC1
SCHEMBL2567666 0.80 KDM4E (0.41) KDM4EGAAMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL11006272 0.80 NFKB1 (0.49) KDM4EGAAMAPTMEN1LMNA
SCHEMBL31199068 0.79 GAA (0.40) KDM4EGAAMAPTMEN1LMNA
SCHEMBL14416655 0.79 HCAR3 (0.53) KDM4EL3MBTL1DEGS1SYKNPC1
SCHEMBL2571391 0.79 GAA (0.40) KDM4EGAAMAPTMEN1LMNA
SCHEMBL3615555 0.79 KDM4E (0.41) KDM4EGAAMAPTMEN1LMNA
SCHEMBL11011478 0.77 MAPT (0.43) KDM4EGAAMAPTMEN1LMNA
SCHEMBL20235134 0.76 HCAR3 (0.50) KDM4EL3MBTL1DEGS1SYKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN KDM4E 401/4885GAA 1308/4885MAPT 3934/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KDM4E 4453/4885GAA 17/4885MAPT 1547/4885

“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.