SCHEMBL17487532

SCHEMBL17487532

Cc1cc(Nc2ccc3nc(NCc4ccc(Oc5ncc(Cl)cn5)cc4)n(CCC(F)(F)F)c3c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 10/20 0.40
NTRK1 P04629 3/20 0.38
PAK4 O96013 2/20 0.36
EGFR P00533 2/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
DHODH Q02127 1/20 0.34
GSK3B P49841 2/20 0.34
AURKA O14965 1/20 0.33
SRC P12931 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
SCHEMBL17487846 0.89 LMNA (0.41) PLK4NTRK1PAK4EGFRPIK3C3
SCHEMBL17488243 0.89 PLK4 (0.42) PLK4NTRK1PAK4EGFRPIK3C3
SCHEMBL17488325 0.84 DHODH (0.42) PLK4NTRK1PAK4EGFRPIK3C3
SCHEMBL17487841 0.84 DHODH (0.43) PLK4NTRK1EGFRPIK3C3JAK2
SCHEMBL17488331 0.83 LMNA (0.39) PIK3C3
SCHEMBL17487851 0.83 NPC1 (0.39) PIK3C3SRC
SCHEMBL17488026 0.83 NTRK1 (0.47) PLK4NTRK1PAK4EGFRPIK3C3
SCHEMBL17488019 0.82 PLK4 (0.42) PLK4NTRK1PAK4
SCHEMBL18965890 0.81 NTRK1 (0.43) PLK4NTRK1PAK4JAK2JAK3
SCHEMBL17488046 0.81 LMNA (0.40) PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 PLK4 3683/4885NTRK1 1236/4885PAK4 4387/4885

“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.