SCHEMBL2180218

SCHEMBL2180218

CNc1nccc(-c2cc(NC3CCN(c4ncccc4C#N)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
DRD2 P14416 2/20 0.40
HTR2A P28223 1/20 0.40
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
EIF2AK2 P19525 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2180495 0.89 EIF2AK2 (0.38) ALDH1A1MAPTCCNCCDK8EIF2AK2
SCHEMBL12486630 0.88 CCNC (0.38) CCNCCDK8EIF2AK2MEN1KMT2A
SCHEMBL2179297 0.86 EIF2AK2 (0.41) MAPTCCNCCDK8EIF2AK2KDM4E
SCHEMBL2178581 0.86 CCNC (0.41) ALDH1A1CCNCCDK8EIF2AK2L3MBTL1
SCHEMBL12489868 0.85 EIF2AK2 (0.39) CCNCCDK8EIF2AK2MKNK1EZH2
SCHEMBL2179213 0.85 EIF2AK2 (0.39) CCNCCDK8EIF2AK2MKNK1EZH2
SCHEMBL2176982 0.85 EZH2 (0.40) CCNCCDK8EIF2AK2MEN1KMT2A
SCHEMBL2180806 0.83 JAK2 (0.43) CCNCCDK8EIF2AK2MEN1KMT2A
SCHEMBL6126567 0.83 IKBKB (0.48) EIF2AK2MKNK1EZH2
SCHEMBL2178899 0.83 DRD2 (0.44) ALDH1A1MAPTDRD2HTR2AKDM4E

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 6 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
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 WO 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 ALDH1A1 619/4885MAPT 2185/4885DRD2 3690/4885

“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.