SCHEMBL12896162

SCHEMBL12896162

CC(C)c1sc2ccc(N)cc2c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NOX4 Q9NPH5 2/20 0.36
▸ EGFR P00533 3/20 0.34
▸ GSK3B P49841 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SCN4A P35499 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30

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
SCHEMBL12922998 0.82 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AALDH1A1MAPTHPGD
SCHEMBL12896160 0.80 ALB (0.38) RAB9AMAPT
SCHEMBL12896174 0.79 CYP17A1 (0.36) RAB9ANPC1MEN1KMT2A
SCHEMBL12896159 0.79 ICAM1 (0.42) MAPTHPGD
SCHEMBL12896179 0.73 GPR3 (0.46) SMN1; SMN2RAB9AALDH1A1MAPTHPGD
SCHEMBL11714081 0.73 RAB9A (0.45) SMN1; SMN2RAB9AALDH1A1MAPTHPGD
SCHEMBL12896171 0.72 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTHPGDEGFR
SCHEMBL17232354 0.71 UGT2B7 (0.35) KDM4E
SCHEMBL3887754 0.71 MAPT (0.58) SMN1; SMN2RAB9AALDH1A1MAPTHPGD
SCHEMBL30340804 0.71 MAPT (0.58) SMN1; SMN2RAB9AALDH1A1MAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 — — US 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A SMN1; SMN2 1925/4885RAB9A 2270/4885ALDH1A1 201/4885

“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.

Send feedback