SCHEMBL17488289

SCHEMBL17488289

CC(C)(C)Nc1nc2cc(N)ccc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.46
NTRK1 P04629 3/20 0.41
ITK Q08881 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 1/20 0.38
BRAF P15056 2/20 0.37
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.36
RAD52 P43351 1/20 0.36
HTT P42858 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
SCHEMBL17488288 0.92 NTRK1 (0.41) IDH1NTRK1KDM4ETP53CXCL8
SCHEMBL17488075 0.84 KMT2A (0.52) IDH1NTRK1CNR2KDM4ETP53
SCHEMBL18960395 0.81 NTRK1 (0.42) IDH1NTRK1ITKCNR2KDM4E
SCHEMBL17488269 0.80 IDH1 (0.48) IDH1NTRK1TRPC5CNR2KDM4E
SCHEMBL18960401 0.80 IDH1 (0.47) IDH1KDM4EBRAFKMT2A
SCHEMBL17488188 0.78 NTRK1 (0.41) IDH1NTRK1CNR2
SCHEMBL17488263 0.78 NTRK1 (0.41) IDH1NTRK1CNR2CXCL8NOD1
SCHEMBL17488202 0.76 NOD1 (0.46) IDH1NTRK1TP53CXCL8NOD1
SCHEMBL17488070 0.75 NOD1 (0.52) NTRK1TP53CXCL8NOD1KMT2A
SCHEMBL17488198 0.75 IDH1 (0.40) IDH1NTRK1

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 3 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
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 IDH1 1717/4885NTRK1 1236/4885ITK 3873/4885

“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.