SCHEMBL19162426

SCHEMBL19162426

CC(C)(C)c1nc2c3c(cccc3n1)C(=O)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
APEX1 P27695 2/20 0.50
NPC1 O15118 4/20 0.45
PABPC1 P11940 4/20 0.45
ALDH1A1 P00352 3/20 0.45
EIF2AK2 P19525 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOA P21397 1/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
IKBKB O14920 1/20 0.45
RGS12 O14924 1/20 0.45

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
SCHEMBL19161214 0.87 ALDH1A1 (0.38) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL7534095 0.80 MAPT (0.58) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL20256150 0.76 MAPT (0.50) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL7535432 0.74 MAPT (0.48) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL19161943 0.74 KMT2A (0.35) MAPTKMT2AMEN1APEX1ALDH1A1
SCHEMBL460367 0.69 MAOA (0.56) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL19161955 0.69 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL18232172 0.69 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
Anthraquinone SCHEMBL5550279 0.66 MAPT (0.67) MAPTKMT2AMEN1APEX1NPC1
SCHEMBL19792777 0.65 MAPT (0.44) MAPTKMT2AMEN1APEX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 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 (1 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 MAPT 1589/4885KMT2A 1423/4885MEN1 197/4885

“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.