Sugi Predict

Sugi Predict / Compounds / SCHEMBL68166

SCHEMBL68166

SCHEMBL68166

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2C2CCOCC2)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ IL2 P60568 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 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
SCHEMBL67682 0.85 CDK9 (0.43) FYNCDK9CASP3CASP7IL2
SCHEMBL68110 0.74 FYN (0.46) FYNTNIKMAPTKDM4EMEN1
SCHEMBL69109 0.74 MAPK14 (0.46) FYNJAK2JAK1JAK3MAPT
SCHEMBL67192 0.73 MAPK11 (0.64) TNIKMAPTKDM4EMEN1ALDH1A1
SCHEMBL68938 0.73 MAPK13 (0.44) FYNPIK3CAMAPTKDM4EMEN1
SCHEMBL69061 0.73 MAPK14 (0.49) FYN
SCHEMBL67171 0.72 FYN (0.48) FYNTNIKMAPTKDM4EMEN1
SCHEMBL13693260 0.71 MAPK14 (0.50) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL15181562 0.71 MAPK1 (0.40) CDK9CASP3CASP7PIK3CAMAPK1
SCHEMBL69591 0.71 MAPK14 (0.51) FYNMAPTKDM4EMEN1ALDH1A1

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 FYN 628/4885CDK9 71/4885CASP3 1234/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885CDK9 87/4885CASP3 2066/4885

“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.