SCHEMBL2180818

SCHEMBL2180818

COc1ccc2cc(-c3ccnc(NCCCN(C)C)n3)cc(N3CCN(c4ncnc5[nH]nc(Br)c45)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.39
▸ RPS6KB1 P23443 4/20 0.38
▸ AKT1 P31749 4/20 0.38
▸ AKT2 P31751 3/20 0.38
▸ RPS6KA3 P51812 3/20 0.38
▸ SYK P43405 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ TERT O14746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL2177179 0.92 EIF2AK2 (0.36) MKNK1RPS6KB1AKT1LRRK2ADRA1D
SCHEMBL2176226 0.88 MKNK1 (0.41) MKNK1RPS6KB1AKT2LRRK2CLK1
SCHEMBL2178372 0.88 RPS6KB1 (0.37) RPS6KB1AKT1LRRK2
SCHEMBL2177965 0.86 CCNT1 (0.42) MKNK1RPS6KB1AKT1KMT2AMEN1
SCHEMBL2176460 0.82 MKNK1 (0.47) MKNK1SYK
SCHEMBL2179517 0.78 MKNK1 (0.51) MKNK1SYKLRRK2CLK1CLK2
SCHEMBL2179362 0.78 MKNK1 (0.51) MKNK1SYK
SCHEMBL2180520 0.76 EIF2AK2 (0.37) MKNK1LRRK2
SCHEMBL2177891 0.76 DYRK1A (0.45) MKNK1RPS6KB1ADRA1DADRA1AADRA1B
SCHEMBL2181166 0.75 PAK1 (0.36) LRRK2

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
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 — — WO 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 MKNK1 2469/4885RPS6KB1 3016/4885AKT1 2995/4885

“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.

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