SCHEMBL2178871

SCHEMBL2178871

CCCCN(C)CCC(N)C(=O)Nc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR142 Q7Z601 1/20 0.34
HDAC3 O15379 1/20 0.34
NCOR1 O75376 1/20 0.34
HDAC2 Q92769 1/20 0.34
ERAP2 Q6P179 2/20 0.34
LNPEP Q9UIQ6 2/20 0.34
PLA2G2A P14555 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
EGFR P00533 3/20 0.33
PRKCA P17252 1/20 0.33
PRKACB P22694 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
NQO2 P16083 1/20 0.32
AGER Q15109 1/20 0.32

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
SCHEMBL2181038 0.87 ABL1 (0.38) GPR142HDAC3NCOR1HDAC2ABL1
SCHEMBL2178535 0.86 HDAC3 (0.38) MEN1KMT2AGPR142HDAC3NCOR1
SCHEMBL2178873 0.86 MEN1 (0.37) MEN1KMT2AHDAC3NCOR1HDAC2
SCHEMBL2179091 0.86 HDAC3 (0.39) MEN1KMT2AGPR142HDAC3NCOR1
SCHEMBL2180455 0.85 HDAC3 (0.36) GPR142HDAC3NCOR1HDAC2PLA2G2A
SCHEMBL6128784 0.84 MEN1 (0.41) MEN1KMT2AHDAC3NCOR1HDAC2
SCHEMBL2178707 0.83 HDAC3 (0.36) GPR142HDAC3NCOR1HDAC2ABL1
SCHEMBL2178998 0.81 ABL1 (0.38) HDAC3NCOR1HDAC2ABL1BCR
SCHEMBL2180584 0.80 HDAC3 (0.36) GPR142HDAC3NCOR1HDAC2PIK3CA
SCHEMBL6128772 0.78 NPC1 (0.44) HDAC3NCOR1HDAC2NPC1RAB9A

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-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP MEN1 2168/4885KMT2A 2050/4885GPR142 4101/4885

“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.