Sugi Predict

Sugi Predict / Compounds / SCHEMBL68593

SCHEMBL68593

SCHEMBL68593

COc1nc(-c2sc(-c3ccccc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 9/20 0.46
▸ DBF4 Q9UBU7 9/20 0.46
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ IDO1 P14902 2/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ SQOR Q9Y6N5 1/20 0.40
▸ ATR Q13535 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 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
SCHEMBL13693397 0.83 CDC7 (0.49) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL68277 0.80 CDC7 (0.46) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL68259 0.76 ATR (0.49) SQORATRADORA2AADORA1
SCHEMBL15181569 0.76 CDC7 (0.49) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL68343 0.76 MAPK13 (0.58) —
SCHEMBL2581392 0.75 MAPT (0.51) SQORATRALDH1A1PIK3CA
SCHEMBL11456658 0.73 CDC7 (0.67) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL68612 0.70 AURKA (0.40) SQORATRKDM4EHPGDPIK3CA
SCHEMBL544858 0.69 CDC7 (0.61) CDC7DBF4CCNE1CDK2IDO1
SCHEMBL7844066 0.69 PTGS2 (0.59) CDC7DBF4CCNE1CDK2KDM4E

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 10 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-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-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 CDC7 167/4885DBF4 831/4885CCNE1 353/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDC7 78/4885DBF4 1270/4885CCNE1 487/4885

“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.