Sugi Predict

Sugi Predict / Compounds / SCHEMBL5657985

SCHEMBL5657985

SCHEMBL5657985

COc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cccc(I)c3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.43
▸ NR1I3 Q14994 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37
▸ TUBB2B Q9BVA1 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL5655139 0.93 LTB4R (0.44) LTB4RNR1I3AURKAAURKBPDE4A
SCHEMBL5656596 0.89 LTB4R (0.46) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL6010167 0.84 LTB4R (0.42) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL5549184 0.82 LTB4R (0.42) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL5656213 0.81 LTB4R (0.42) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL6009567 0.80 IDO1 (0.41) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL5657911 0.78 LTB4R (0.38) LTB4RNR1I3AURKAAURKBTUBB4A
SCHEMBL12590512 0.76 LTB4R (0.42) LTB4RNR1I3TUBB4ATUBBTUBA3C
SCHEMBL1757872 0.76 MEN1 (0.49) LTB4RNR1I3AURKAAURKBNPC1
SCHEMBL5782504 0.75 GRM5 (0.45) LTB4RMAP4K4HPDHCRTR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173040-B2 Farnesyl transferase inhibiting 6-[(substituted phenyl)methyl]-quinoline and quinazoline derinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-06 — — US disclosed
US-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties JANSSEN-CILAG S.A. (FR) 2004-03-11 — — US disclosed
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 — — EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 — — 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-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties FNTB, FNTA, CYP7A1 LTB4R 2050/4885NR1I3 65/4885AURKA 1783/4885

“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.