SCHEMBL6428652

SCHEMBL6428652

COc1c(C(=O)NCCc2ccncc2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
MAPK3 P27361 1/20 0.37
EPHX2 P34913 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL6428532 0.91 POLB (0.47) SMN1; SMN2MAPK1LMNAKDM4EPOLB
SCHEMBL6428670 0.90 AURKA (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6426257 0.86 BRD4 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6426371 0.86 RAB9A (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL4152203 0.86 MAPT (0.45) SMN1; SMN2MAPK1LMNAKDM4EGAA
SCHEMBL4152208 0.86 MAPT (0.45) SMN1; SMN2MAPK1LMNAKDM4EGAA
SCHEMBL6426305 0.85 DRD3 (0.37) SMN1; SMN2CNR2MAPK1LMNA
SCHEMBL6426323 0.85 ABL1 (0.37) SMN1; SMN2CNR2MAPK1LMNA
SCHEMBL6426050 0.85 POLB (0.39) MAPK1POLB
SCHEMBL6425942 0.85 DRD2 (0.39) SMN1; SMN2NAMPT

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885ALDH1A1 2713/4885CNR2 191/4885

“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.