Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496643

SCHEMBL3496643

SCHEMBL3496643

OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3[nH]ncc3Cl)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.39
▸ CHUK O15111 3/20 0.39
▸ FYN P06241 1/20 0.36
▸ BRD4 O60885 9/20 0.35
▸ LMNA P02545 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ PDE2A O00408 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CDK11B P21127 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ MAP3K19 Q56UN5 1/20 0.33
▸ MYLK4 Q86YV6 1/20 0.33

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
SCHEMBL3493737 0.90 IKBKB (0.43) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3495414 0.85 IKBKB (0.41) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3496915 0.82 IKBKB (0.40) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3496373 0.82 IKBKB (0.42) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3496169 0.82 IKBKB (0.40) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL13340590 0.82 BRD4 (0.35) BRD4LMNAXBP1PPARGHTT
SCHEMBL3494405 0.82 FYN (0.46) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3494460 0.81 IKBKB (0.43) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3496574 0.81 IKBKB (0.39) IKBKBCHUKFYNBRD4CDK11B
SCHEMBL3494696 0.81 IKBKB (0.40) IKBKBCHUKFYNBRD4CDK11B

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 IKBKB 945/4885CHUK 253/4885FYN 3734/4885

“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.