Sugi Predict

Sugi Predict / Compounds / SCHEMBL3497382

SCHEMBL3497382

SCHEMBL3497382

OCCCNc1nc2cc(C(F)(F)F)c(NCc3ccccc3)cc2n2ccnc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.53
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP1 O94782 2/20 0.38
▸ WDR48 Q8TAF3 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ EPHB4 P54760 1/20 0.36
▸ IKBKB O14920 2/20 0.36
▸ CHUK O15111 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ KARS1 Q15046 1/20 0.35

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
SCHEMBL3497495 0.82 MAPK8 (0.48) MAPK8USP1WDR48
SCHEMBL3495750 0.81 MAPK8 (0.40) MAPK8IKBKBCHUKBRD4
SCHEMBL3495265 0.81 MAPK8 (0.41) MAPK8IKBKBCHUKPOLBBRD4
SCHEMBL3501033 0.79 MAPK8 (0.39) MAPK8IKBKBBRD4
SCHEMBL3497316 0.79 MAPK8 (0.39) MAPK8IKBKBCHUKBRD4
SCHEMBL3496165 0.78 MAPK8 (0.45) MAPK8USP1WDR48IKBKBCHUK
SCHEMBL3495173 0.77 MAPK8 (0.47) MAPK8IKBKBCHUKBRD4
SCHEMBL3496822 0.75 MAPK8 (0.46) MAPK8IKBKBCHUKBRD4
SCHEMBL3495550 0.73 HTR3E (0.50) MAPK8IKBKBCHUKBRD4
SCHEMBL3496028 0.72 BRD4 (0.52) MAPK8BRD4

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-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
EP-2155750-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES Mutabilis SA (FR) 2010-02-24 — — EP disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 — — WO disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 — — WO 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 (1 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-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DLAT, DLST, DNTT MAPK8 4234/4885CCNB2 1870/4885CDK1 1120/4885

“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.