Sugi Predict

Sugi Predict / Compounds / SCHEMBL69090

SCHEMBL69090

SCHEMBL69090

COc1cc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.57
▸ CSNK1D P48730 2/20 0.57
▸ CSNK1E P49674 2/20 0.57
▸ RAF1 P04049 2/20 0.53
▸ ALOX5 P09917 7/20 0.52
▸ MAPK13 O15264 4/20 0.52
▸ MAPK12 P53778 4/20 0.52
▸ MAPK11 Q15759 4/20 0.52
▸ GCGR P47871 2/20 0.52
▸ CHEK2 O96017 3/20 0.50
▸ CHEK1 O14757 2/20 0.50
▸ FYN P06241 2/20 0.48
▸ TGFBR1 P36897 1/20 0.47
▸ BRAF P15056 1/20 0.46
▸ PKN1 Q16512 1/20 0.46
▸ PKN2 Q16513 1/20 0.46
▸ MPO P05164 1/20 0.46

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
SCHEMBL67667 0.91 RAF1 (0.65) MAPK14CSNK1DCSNK1ERAF1ALOX5
SCHEMBL68210 0.90 MAPK14 (0.52) MAPK14CSNK1DCSNK1ERAF1ALOX5
SCHEMBL67052 0.88 MAPK14 (0.56) MAPK14CSNK1DCSNK1ERAF1ALOX5
SCHEMBL67076 0.88 KDM4E (0.52) MAPK14CSNK1DRAF1ALOX5MAPK13
SCHEMBL67146 0.87 MAPK13 (0.63) MAPK14CSNK1DRAF1ALOX5MAPK13
SCHEMBL68402 0.87 SMPD3 (0.57) MAPK14CSNK1DCSNK1ERAF1ALOX5
SCHEMBL67025 0.86 MAPK13 (0.61) MAPK14RAF1ALOX5MAPK13MAPK12
SCHEMBL69042 0.84 ALOX5 (0.60) MAPK14CSNK1DCSNK1ERAF1ALOX5
SCHEMBL67015 0.84 MAPK14 (0.57) MAPK14CSNK1DRAF1ALOX5MAPK13
SCHEMBL68619 0.83 MAPK14 (0.58) MAPK14CSNK1DRAF1ALOX5MAPK13

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 8 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-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 484/4885CSNK1D 1506/4885CSNK1E 1110/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885CSNK1D 835/4885CSNK1E 606/4885

“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.