Sugi Predict

Sugi Predict / Compounds / SCHEMBL67128

SCHEMBL67128

SCHEMBL67128

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc(NCCNC(C)=O)n2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ MAPK9 P45984 2/20 0.46
▸ MAPK12 P53778 2/20 0.46
▸ MAPK11 Q15759 2/20 0.46
▸ BRAF P15056 10/20 0.43
▸ MPO P05164 1/20 0.42
▸ PRMT5 O14744 1/20 0.40
▸ NOX1 Q9Y5S8 2/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL84596 0.92 MAPK14 (0.45) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL67180 0.92 MAPK14 (0.46) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL84787 0.87 BRAF (0.46) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL84613 0.84 BRAF (0.44) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL68361 0.84 BRAF (0.40) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL69282 0.83 MAPK14 (0.58) MAPK14BRAF
SCHEMBL68701 0.83 MAPK14 (0.56) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL68941 0.81 MAPK14 (0.50) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL69812 0.80 BRAF (0.43) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL67520 0.80 MAPK9 (0.47) MAPK14MAPK13RAF1MAPK9MAPK12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885MAPK13 178/4885RAF1 4/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885RAF1 2/4885

“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.