Sugi Predict

Sugi Predict / Compounds / SCHEMBL66851

SCHEMBL66851

SCHEMBL66851

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nc3)n2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 11/20 0.44
▸ PRKD3 O94806 2/20 0.43
▸ PRKCG P05129 2/20 0.43
▸ PRKCB P05771 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ PRKCA P17252 2/20 0.43
▸ PRKCH P24723 2/20 0.43
▸ PRKCI P41743 2/20 0.43
▸ PRKCE Q02156 2/20 0.43
▸ PRKCQ Q04759 2/20 0.43
▸ PRKCZ Q05513 2/20 0.43
▸ PRKCD Q05655 2/20 0.43
▸ PRKD1 Q15139 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ JAK2 O60674 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL13693254 0.90 ZAP70 (0.38) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL67819 0.82 ZAP70 (0.44) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL69317 0.78 EIF2AK2 (0.43) PRKD3CCNA2CDK2
SCHEMBL66921 0.78 BRAF (0.44) JAK3PIK3CAPIK3CG
SCHEMBL67696 0.77 MAPK9 (0.44) PRKD3PRKCGJAK2JAK3CDK2
SCHEMBL68164 0.77 MAPK14 (0.44) CCNA2CDK2
SCHEMBL69812 0.76 BRAF (0.43) PRKD3
SCHEMBL67520 0.76 MAPK9 (0.47) PRKD3
SCHEMBL69049 0.76 PIK3CG (0.52) PRKCAEGFRJAK2JAK3PIK3CA
SCHEMBL67352 0.75 MAPK14 (0.44) —

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 ZAP70 876/4885PRKD3 277/4885PRKCG 819/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ZAP70 577/4885PRKD3 153/4885PRKCG 267/4885

“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.