SCHEMBL17488243

SCHEMBL17488243

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 7/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAK4 O96013 2/20 0.40
NTRK1 P04629 2/20 0.40
EGFR P00533 2/20 0.38
GSK3B P49841 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
AURKA O14965 2/20 0.37
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 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
SCHEMBL17488019 0.93 PLK4 (0.42) PLK4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17487846 0.92 LMNA (0.41) PLK4SMN1; SMN2PAK4NTRK1EGFR
SCHEMBL17488023 0.90 CYP3A4 (0.47) PLK4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17487841 0.89 DHODH (0.43) PLK4NPC1RAB9ANTRK1EGFR
SCHEMBL17488142 0.89 PLK4 (0.38) PLK4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488140 0.89 PIK3C3 (0.40) NPC1RAB9AKMT2ASMN1; SMN2PIK3C3
SCHEMBL17487532 0.89 PLK4 (0.40) PLK4PAK4NTRK1EGFRGSK3B
SCHEMBL17487851 0.89 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2PIK3C3
SCHEMBL17488026 0.89 NTRK1 (0.47) PLK4NPC1RAB9ASMN1; SMN2PAK4
SCHEMBL18965934 0.88 GSK3B (0.40) PLK4NPC1RAB9AKMT2ASMN1; SMN2

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 3683/4885NPC1 2764/4885RAB9A 3982/4885

“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.