SCHEMBL16622863

SCHEMBL16622863

COc1ccc2nc(NN)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
HCK P08631 1/20 0.40
BTK Q06187 1/20 0.40
LCK P06239 2/20 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
SCHEMBL14243031 0.85 LCK (0.41) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL25325500 0.77 IDO1 (0.46) IDO1MEN1KMT2AMAPTKDM4E
SCHEMBL30189832 0.77 PIK3CD (0.50) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL184747 0.77 PIK3CD (0.50) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL30189846 0.75 PDE10A (0.36) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL794336 0.75 PDE10A (0.36) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL10049899 0.75 PDE10A (0.44) KMT2AMAPTKDM4EGAANPC1
SCHEMBL2655153 0.75 RAB9A (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL14243038 0.75 HTT (0.42) GAALMNANPC1RAB9ASMN1; SMN2
SCHEMBL1851332 0.74 PDE10A (0.35) MEN1KMT2AMAPTNPC1RAB9A

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
EP-2857424-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORP (JP) 2017-12-27 EP disclosed
US-20170044279-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORPORATION (JP) 2017-02-16 US disclosed
EP-2857424-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL Zeon Corporation (JP) 2015-04-08 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-20170044279-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZYX, H1-3, PYM1 IDO1 398/4885MEN1 2668/4885KMT2A 1296/4885

“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.