SCHEMBL12653263

SCHEMBL12653263

Cc1cc2nccn2cc1/C(N)=N/O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
KEAP1 Q14145 1/20 0.34
TGFBR1 P36897 1/20 0.32
LMNA P02545 4/20 0.32
GAA P10253 4/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
FASN P49327 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
TNF P01375 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
CDK5 Q00535 1/20 0.30
KLF5 Q13887 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
SCHEMBL12618940 1.00 DYRK1A (0.37) DYRK1AL3MBTL1KEAP1TGFBR1LMNA
SCHEMBL24087313 0.81 NNMT (0.41) DYRK1AL3MBTL1KEAP1TGFBR1LMNA
SCHEMBL6918010 0.76 GABRP (0.41) DYRK1AL3MBTL1TGFBR1GAAALDH1A1
SCHEMBL2013520 0.76 TRIM33 (0.38) ALDH1A1MAPTFASNMAOBSYK
SCHEMBL773116 0.73 KEAP1 (0.47) DYRK1AKEAP1TGFBR1KMT2AMAOB
SCHEMBL773117 0.73 KEAP1 (0.47) DYRK1AKEAP1TGFBR1KMT2AMAOB
SCHEMBL1796361 0.73 MAOB (0.40) DYRK1AL3MBTL1FASNMAOBCYP2C9
SCHEMBL11985799 0.73 L3MBTL1 (0.44) DYRK1AL3MBTL1KEAP1TGFBR1KMT2A
SCHEMBL22745442 0.72 L3MBTL1 (0.44) DYRK1AL3MBTL1KEAP1TGFBR1KMT2A
SCHEMBL12618926 0.70 KDM1A (0.38) DYRK1AKEAP1CYP3A4PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 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 (2 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 DYRK1A 3071/4885L3MBTL1 650/4885KEAP1 3275/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 DYRK1A 3071/4885L3MBTL1 650/4885KEAP1 3275/4885

“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.