SCHEMBL17488284

SCHEMBL17488284

Nc1ccc2nc(NCCOc3ccc(OC(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CBFB Q13951 3/20 0.42
MTOR P42345 1/20 0.41
PDE10A Q9Y233 1/20 0.41
RUNX1 Q01196 3/20 0.40
HPSE Q9Y251 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL17488122 0.81 GRIN1 (0.52) ALDH1A1KDM4EMAPTMTORHPSE
SCHEMBL17488095 0.78 RAB9A (0.49) POLBALDH1A1KDM4EMAPTHPSE
SCHEMBL17488268 0.77 CYP3A4 (0.45) POLBALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL17488040 0.77 RAB9A (0.45) POLBKDM4EMAPTCBFBPDE10A
SCHEMBL17487327 0.75 RAB9A (0.45) KDM4EMAPTMTORRAB9ALMNA
SCHEMBL17488194 0.75 TYMS (0.41) KDM4EMAPTCBFBRUNX1
SCHEMBL17488199 0.73 RAB9A (0.56) POLBALDH1A1KDM4EMAPTHPSE
SCHEMBL17488200 0.72 RAB9A (0.42) MAPTMTORHPSEGRIN1GRIN2B
SCHEMBL17488269 0.72 IDH1 (0.48) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL18965821 0.70 PDE3B (0.45) POLBALDH1A1CBFB

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 POLB 2562/4885ALDH1A1 582/4885KDM4E 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.