SCHEMBL2178908

SCHEMBL2178908

CCN1CCCC(Nc2nccc(-c3cc(N4CCNCC4)c4cc(OC)ccc4c3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.45
MKNK1 Q9BUB5 3/20 0.44
NCF1 P14598 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAPK10 P53779 4/20 0.38
IKBKB O14920 3/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
PRKD1 Q15139 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
ITK Q08881 1/20 0.37
BRD4 O60885 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
SCHEMBL2179310 0.91 MKNK1 (0.44) EIF2AK2MKNK1MKNK2CCNKCDK12
SCHEMBL2179804 0.84 IKBKB (0.50) EIF2AK2MKNK1NCF1MKNK2CDK2
SCHEMBL2179908 0.82 ACHE (0.54) EIF2AK2MKNK1MKNK2
SCHEMBL2677992 0.82 EIF2AK2 (0.44) EIF2AK2CCNKCDK12CDK2MAPK10
SCHEMBL2176497 0.81 NCF1 (0.45) EIF2AK2MKNK1NCF1MKNK2CCNT1
SCHEMBL6128789 0.81 CCNK (0.40) EIF2AK2CCNKCDK12CCNT1CCNE1
SCHEMBL2179096 0.80 MKNK1 (0.47) MKNK1NCF1MKNK2IKBKBPRKD1
SCHEMBL2176027 0.80 NCF1 (0.54) MKNK1NCF1CCNT1CDK2CDK9
Hydrochloric Acid SCHEMBL2177589 0.80 NCF1 (0.53) MKNK1NCF1CCNT1CDK2CDK9
SCHEMBL2180119 0.79 MAPK10 (0.40) EIF2AK2MKNK1CCNKCDK12CCNT1

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 EIF2AK2 1269/4885MKNK1 2469/4885NCF1 272/4885

“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.