SCHEMBL10228486

SCHEMBL10228486

CN/C(=C\C=N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 4/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SRC P12931 1/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL22797132 0.82 MMP13 (0.42) TDP1ALDH1A1GAANPSR1PKM
SCHEMBL19624772 0.79 AKT1 (0.39) TDP1MAPK1ALDH1A1TSHRGAA
SCHEMBL12963614 0.79 TDP1 (0.45) TDP1MAPK1ALDH1A1TSHRGAA
SCHEMBL15189549 0.78 ALDH1A1 (0.45) TDP1MAPK1ALDH1A1TSHRGAA
SCHEMBL13066991 0.78 TDP1 (0.41) TDP1MAPK1ALDH1A1TSHRGAA
SCHEMBL24514400 0.76 LOXL2 (0.44) F10HDAC3HDAC6NCOR2PRSS1
SCHEMBL22797135 0.76 HDAC8 (0.31) HDAC8
SCHEMBL18658268 0.76 KAT6A (0.38) MAPTPRSS1PRSS2PRSS3
SCHEMBL23019643 0.75 TDP1 (0.41) TDP1MAPK1ALDH1A1TSHRGAA
SCHEMBL12337184 0.74 TDP1 (0.38) TDP1MAPK1ALDH1A1TSHRGAA

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
EP-3185328-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 EP disclosed
EP-3185325-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 EP disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TDP1 2578/4885MAPK1 3852/4885ALDH1A1 968/4885

“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.