Sugi Predict

Sugi Predict / Compounds / SCHEMBL67076

SCHEMBL67076

SCHEMBL67076

COc1ccc(-c2nc(-c3ccncc3)c(-c3cnc(N)c(OC)c3)[nH]2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MPO P05164 1/20 0.50
▸ MAPK13 O15264 7/20 0.49
▸ MAPK12 P53778 7/20 0.49
▸ MAPK11 Q15759 7/20 0.49
▸ MAPK14 Q16539 7/20 0.49
▸ RAF1 P04049 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL67232 0.92 MAPK13 (0.50) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL67146 0.90 MAPK13 (0.63) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL68402 0.90 SMPD3 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67571 0.89 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67052 0.89 MAPK14 (0.56) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL68478 0.89 MAPK14 (0.51) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL67025 0.89 MAPK13 (0.61) MAPTMPOMAPK13MAPK12MAPK11
SCHEMBL69335 0.88 TLR8 (0.45) MAPTMPOMAPK13MAPK12MAPK11
SCHEMBL66646 0.88 CLK1 (0.47) MAPTMPOMAPK13MAPK12MAPK11
SCHEMBL68107 0.88 ALOX5 (0.49) KDM4EALDH1A1HPGDMAPK13MAPK12

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 KDM4E 3041/4885ALDH1A1 3257/4885HPGD 2043/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885ALDH1A1 2358/4885HPGD 1378/4885

“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.