SCHEMBL17488063

SCHEMBL17488063

Nc1ccc2[nH]c(NCc3ccc(Oc4ccc(Cl)cc4)cc3F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
BDKRB1 P46663 1/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2B P18089 1/20 0.38
KCNH2 Q12809 6/20 0.36
HTR2A P28223 5/20 0.36
SLC6A4 P31645 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PKM P14618 1/20 0.35
AKR1B1 P15121 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
SCHEMBL17488058 0.90 MEN1 (0.43) KDRTEKMEN1GFERKMT2A
SCHEMBL17488082 0.88 MEN1 (0.46) BDKRB1MEN1GFERKMT2AADRA2B
SCHEMBL17487331 0.85 RAB9A (0.45) KDRMEN1GFERKMT2AMAOA
SCHEMBL17487319 0.84 RAB9A (0.42) KDRTEKMEN1GFERKMT2A
SCHEMBL17487916 0.84 CHEK2 (0.41) KDRTEKMEN1GFERKMT2A
SCHEMBL17487924 0.82 RAB9A (0.43) MEN1GFERKMT2AMAOAMAOB
SCHEMBL17487814 0.81 KDR (0.40) KDRTEKBDKRB1MEN1GFER
SCHEMBL17488182 0.80 S1PR2 (0.38) KDRTEKMEN1GFERKMT2A
SCHEMBL18960390 0.79 CYP3A4 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL17488216 0.78 RAB9A (0.45) KDRTEKMEN1GFERKMT2A

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 KDR 2470/4885TEK 3188/4885BDKRB1 354/4885

“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.