SCHEMBL20590806

SCHEMBL20590806

c1ccc(COc2ccc(-n3cncn3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
P4HTM Q9NXG6 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALKBH1 Q13686 1/20 0.42
PIM1 P11309 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL22325529 0.84 MRGPRX4 (0.56) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL22325530 0.83 ALKBH1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4667925 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL22968107 0.80 CYP4F2 (0.53) MAPTKDM4E
SCHEMBL12989738 0.79 LMNA (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1422528 0.79 NTRK1 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL12988990 0.77 EGLN1 (0.48) RAB9ASMN1; SMN2LMNAMAPTP4HTM
SCHEMBL31435187 0.77 EGLN1 (0.48) RAB9ASMN1; SMN2LMNAMAPTP4HTM
SCHEMBL20590797 0.77 P4HTM (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1186530 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT

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-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 WO disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 EP 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-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 NPC1 2814/4885RAB9A 3030/4885SMN1; SMN2 4769/4885

“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.