SCHEMBL2179534

SCHEMBL2179534

CNc1nccc(-c2cc(NC3CCN(c4ncnc5scc(C)c45)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.43
ADRB3 P13945 5/20 0.43
ADRB1 P08588 4/20 0.43
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.37
EIF2AK2 P19525 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL2177805 0.89 MAPT (0.39) MAPK1EIF2AK2KIT
SCHEMBL2180520 0.83 EIF2AK2 (0.37) EIF2AK2MKNK1KIT
SCHEMBL2180148 0.82 EIF2AK2 (0.39) EIF2AK2MKNK1KIT
SCHEMBL6128585 0.81 MAPT (0.45) MAPK1EIF2AK2MKNK1
SCHEMBL2179213 0.81 EIF2AK2 (0.39) EIF2AK2MKNK1
SCHEMBL12489868 0.81 EIF2AK2 (0.39) EIF2AK2MKNK1
SCHEMBL2179297 0.81 EIF2AK2 (0.41) KMT2AMEN1EIF2AK2MKNK1
SCHEMBL6126567 0.80 IKBKB (0.48) EIF2AK2MKNK1
SCHEMBL2178208 0.80 EZH2 (0.40) EIF2AK2MKNK1
SCHEMBL2181275 0.80 EZH2 (0.40) EIF2AK2MKNK1

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 ADRB2 3748/4885ADRB3 2870/4885ADRB1 3527/4885

“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.