SCHEMBL15420405

SCHEMBL15420405

COc1ccc(-c2ncc(C#N)cc2F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HPGDS O60760 1/20 0.45
KDM1A O60341 4/20 0.43
KIT P10721 2/20 0.43
PI4KB Q9UBF8 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP17A1 P05093 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL15420633 0.83 HPGDS (0.51) ALDH1A1KDM4EHPGDSKDM1AMEN1
SCHEMBL15420520 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EPDGFRBPDGFRAHPGDS
SCHEMBL15419971 0.78 AR (0.47) PI4KB
SCHEMBL9061902 0.77 KIF11 (0.54) ALDH1A1PDGFRBPDGFRAKDM1AKIT
SCHEMBL7285654 0.77 KIF11 (0.54) ALDH1A1PDGFRBPDGFRAKDM1AKIT
SCHEMBL31128553 0.77 AR (0.51) ALDH1A1KDM4EMAPK1KDM1ARAB9A
SCHEMBL313099 0.77 AR (0.51) ALDH1A1KDM4EMAPK1KDM1ARAB9A
SCHEMBL25429996 0.76 CYP11B1 (0.53) KDM1A
SCHEMBL15420642 0.75 MMP3 (0.47) KDM1A
SCHEMBL27452007 0.74 CYP11B1 (0.42)

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-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 ALDH1A1 143/4885KDM4E 2112/4885MAPK1 1793/4885

“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.