SCHEMBL17488288

SCHEMBL17488288

CC(C)(C)Nc1nc2ccc(N)cc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
IDH1 O75874 3/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 3/20 0.38
KMT2A Q03164 2/20 0.36
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17488289 0.92 IDH1 (0.46) NTRK1IDH1KDM4ETP53KMT2A
SCHEMBL17488070 0.84 NOD1 (0.52) NTRK1TP53KMT2ACXCL8NOD1
SCHEMBL17488198 0.82 IDH1 (0.40) NTRK1IDH1NR1I2CYP1A2CYP2D6
SCHEMBL17488202 0.82 NOD1 (0.46) NTRK1IDH1TP53KMT2ACXCL8
SCHEMBL17488178 0.81 NTRK1 (0.42) NTRK1IDH1KMT2ACXCL8NOD1
SCHEMBL17488268 0.80 CYP3A4 (0.45) NTRK1IDH1NR1I2CYP1A2CYP2D6
SCHEMBL18960400 0.80 HPGD (0.46) IDH1KDM4EKMT2AMAPTMEN1
SCHEMBL17488279 0.78 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL18960402 0.78 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17488075 0.75 KMT2A (0.52) NTRK1IDH1KDM4ETP53KMT2A

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 NTRK1 1236/4885IDH1 1717/4885KDM4E 2989/4885

“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.