SCHEMBL5203641

SCHEMBL5203641

Cc1cccc(/C(O)=C/c2ccncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NT5E P21589 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
VNN1 O95497 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
IDE P14735 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GFER P55789 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL5203648 1.00 MAPK10 (0.44) MAPK10ALDH1A1NT5ENPC1RAB9A
SCHEMBL5456158 0.82 MAPK10 (0.44) MAPK10ALDH1A1NPC1RAB9APKM
SCHEMBL5456156 0.82 MAPK10 (0.44) MAPK10ALDH1A1NPC1RAB9APKM
SCHEMBL5203148 0.79 GRM4 (0.45) MAPK10ALDH1A1NT5ENPC1RAB9A
SCHEMBL5203158 0.79 GRM4 (0.45) MAPK10ALDH1A1NT5ENPC1RAB9A
SCHEMBL7816273 0.71 AKR1C1 (0.51) ALDH1A1PKMHTTMEN1MAPT
SCHEMBL7816271 0.71 AKR1C1 (0.51) ALDH1A1PKMHTTMEN1MAPT
SCHEMBL5119907 0.71 PARP1 (0.41) MAPK10ALDH1A1NPC1RAB9APKM
SCHEMBL5119910 0.71 PARP1 (0.41) MAPK10ALDH1A1NPC1RAB9APKM
SCHEMBL2094602 0.69 PARP1 (0.52) MAPK10ALDH1A1KCNK3KCNK9SMN1; SMN2

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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 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-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK10 40/4885ALDH1A1 2596/4885NT5E 3952/4885

“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.