Sugi Predict

Sugi Predict / Compounds / SCHEMBL3495288

SCHEMBL3495288

SCHEMBL3495288

OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3cc(-c4cccnc4)n[nH]3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ IKBKB O14920 2/20 0.37
▸ CHUK O15111 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ EPHB4 P54760 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ SCD O00767 3/20 0.34
▸ KIT P10721 1/20 0.34
▸ CLK1 P49759 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCD Q05655 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
SCHEMBL3495470 0.92 IKBKB (0.41) FYNALDH1A1IKBKBCHUKSYK
SCHEMBL3496373 0.87 IKBKB (0.42) FYNIKBKBCHUKBRD4
SCHEMBL13340496 0.86 BRD4 (0.40) IKBKBCHUKBRD4
SCHEMBL3496574 0.84 IKBKB (0.39) FYNIKBKBCHUKBRD4
SCHEMBL3494460 0.84 IKBKB (0.43) FYNIKBKBCHUKBRD4KIT
SCHEMBL3496892 0.83 IKBKB (0.38) FYNIKBKBCHUKBRD4
SCHEMBL3496962 0.83 IKBKB (0.40) FYNIKBKBCHUKSYKBRD4
SCHEMBL3495414 0.83 IKBKB (0.41) FYNIKBKBCHUKBRD4
SCHEMBL3494405 0.82 FYN (0.46) FYNALDH1A1IKBKBCHUKSYK
SCHEMBL3496074 0.81 IKBKB (0.38) FYNIKBKBCHUKBRD4

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 ABL1 315/4885HTR2B 4805/4885HTR6 4733/4885

“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.