SCHEMBL21982509

SCHEMBL21982509

C#CCCCCCCCCC(=O)N1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 3/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ NAAA Q02083 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ FLT4 P35916 1/20 0.31

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
SCHEMBL21982459 0.92 ADAMTS5 (0.36) ADAMTS5ADORA2AADORA3NAAAMEN1
SCHEMBL21982511 0.78 HRH4 (0.42) —
SCHEMBL17757183 0.76 KDM4E (0.38) ADAMTS5ADORA2AMEN1KMT2ATSHR
SCHEMBL17757642 0.76 MAOB (0.36) KMT2AMAPT
SCHEMBL17757436 0.76 MAOB (0.36) KMT2AMAPT
SCHEMBL17757825 0.75 ACAT2 (0.38) MEN1KMT2A
SCHEMBL17758027 0.75 ACAT2 (0.47) KMT2A
SCHEMBL17757055 0.75 PIK3CA (0.40) —
SCHEMBL17992048 0.74 KMT2A (0.40) ADORA2AMEN1KMT2ATSHRKDM4E
SCHEMBL17992046 0.74 BRD4 (0.41) ADORA2AMEN1KMT2ATSHRKDM4E

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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ADAMTS5 1579/4885ADORA2A 2655/4885ADORA3 3527/4885

“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.

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