Sugi Predict

Sugi Predict / Compounds / SCHEMBL67132

SCHEMBL67132

SCHEMBL67132

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc(O)n2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.44
▸ MAPK14 Q16539 8/20 0.43
▸ CSNK1D P48730 3/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPK13 O15264 6/20 0.43
▸ GCGR P47871 6/20 0.43
▸ MAPK12 P53778 6/20 0.43
▸ MAPK11 Q15759 6/20 0.43
▸ ALOX5 P09917 5/20 0.43
▸ SMPD3 Q9NY59 4/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ NOX1 Q9Y5S8 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ FRK P42685 2/20 0.40

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
SCHEMBL66921 0.84 BRAF (0.44) FYNMAPK14CSNK1DJAK3MAPK13
SCHEMBL67437 0.84 MAPK14 (0.53) FYNMAPK14CSNK1DJAK3MAPK13
SCHEMBL69812 0.83 BRAF (0.43) FYNMAPK14CSNK1DMAPK13GCGR
SCHEMBL67520 0.82 MAPK9 (0.47) MAPK14CSNK1DMAPK13GCGRMAPK12
SCHEMBL67352 0.82 MAPK14 (0.44) FYNMAPK14MAPK13GCGRMAPK12
SCHEMBL67351 0.82 MAPK14 (0.44) FYNMAPK14MAPK13GCGRMAPK12
SCHEMBL68138 0.82 MAPK14 (0.44) FYNMAPK14MAPK13GCGRMAPK12
SCHEMBL69317 0.82 EIF2AK2 (0.43) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13693260 0.81 MAPK14 (0.50) FYNMAPK14CSNK1DMAPK13GCGR
SCHEMBL69591 0.81 MAPK14 (0.51) FYNMAPK14CSNK1DMAPK13GCGR

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 9 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-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 FYN 628/4885MAPK14 484/4885CSNK1D 1506/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885MAPK14 218/4885CSNK1D 835/4885

“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.