SCHEMBL17757915

SCHEMBL17757915

CN1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2NCc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ NPC1 O15118 1/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PNP P00491 1/20 0.30

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
SCHEMBL17757502 0.86 CCNT1 (0.38) HRH4
SCHEMBL17757659 0.85 CCNT1 (0.40) HRH4CHEK1
SCHEMBL21982511 0.83 HRH4 (0.42) HRH4FLT3
SCHEMBL17757674 0.83 HRH4 (0.31) HRH4
SCHEMBL17757924 0.82 — —
SCHEMBL17757916 0.82 HRH4 (0.41) HRH4NPC1
SCHEMBL17757920 0.82 HRH4 (0.40) HRH4
SCHEMBL17757139 0.82 CDK2 (0.41) —
SCHEMBL17757671 0.82 GRM2 (0.36) HRH4
SCHEMBL17757143 0.82 MAPK7 (0.34) HRH4

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 2 patents. 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
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO 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 HRH4 3044/4885NPC1 1194/4885FLT3 4095/4885

“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.

Send feedback