SCHEMBL2180495

SCHEMBL2180495

CNc1nccc(-c2cc(NC3CCN(c4nccnc4C#N)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.38
GPR6 P46095 2/20 0.37
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
EZH2 Q15910 2/20 0.36
NSD2 O96028 2/20 0.36
MKNK1 Q9BUB5 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2180218 0.89 ALDH1A1 (0.44) EIF2AK2CCNCCDK8EZH2NSD2
SCHEMBL2179213 0.88 EIF2AK2 (0.39) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL12489868 0.88 EIF2AK2 (0.39) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL2176982 0.86 EZH2 (0.40) EIF2AK2CCNCCDK8EZH2NSD2
SCHEMBL12486630 0.85 CCNC (0.38) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL2180806 0.85 JAK2 (0.43) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL2179297 0.84 EIF2AK2 (0.41) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL6126567 0.84 IKBKB (0.48) EIF2AK2EZH2MKNK1IKBKB
SCHEMBL2178581 0.82 CCNC (0.41) EIF2AK2CCNCCDK8MKNK1NOS1
SCHEMBL2179393 0.82 EHMT1 (0.40) EIF2AK2CCNCCDK8EZH2MKNK1

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 5 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 claimed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
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
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 EIF2AK2 1269/4885GPR6 3251/4885CCNC 27/4885

“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.