SCHEMBL17488148

SCHEMBL17488148

Cc1cc(Nc2ccc3nc(NCc4ccc(N(C)c5ncc(Cl)cn5)cc4)n(C)c3c2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
PLK4 O00444 8/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PAK4 O96013 2/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AURKA O14965 2/20 0.38
GSK3B P49841 2/20 0.38
SRC P12931 1/20 0.38
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
DAPK3 O43293 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL17488030 0.87 PLK4 (0.46) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17488243 0.84 PLK4 (0.42) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17488023 0.81 CYP3A4 (0.47) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17488142 0.80 PLK4 (0.38) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17488020 0.80 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL17487531 0.78 PLK4 (0.41) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17488019 0.78 PLK4 (0.42) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17487846 0.76 LMNA (0.41) NTRK1PLK4SMN1; SMN2PAK4AURKA
SCHEMBL18965934 0.76 GSK3B (0.40) NTRK1PLK4NPC1RAB9AKMT2A
SCHEMBL17487528 0.76 PLK4 (0.41) NTRK1PLK4NPC1RAB9AKMT2A

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 NTRK1 1236/4885PLK4 3683/4885NPC1 2764/4885

“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.