SCHEMBL17758128

SCHEMBL17758128

CN1CCC2(CC1)Nc1cc3c(nc1N=C2NCc1cccc(Cl)c1)OC(F)(F)O3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.38
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ STIM1 Q13586 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.32

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
SCHEMBL17758125 0.87 HRH4 (0.38) HRH4CCNT1CDK9KCNN3PDE2A
SCHEMBL17757746 0.77 HRH4 (0.42) HRH4CCNT1CDK9PDE2AMAOB
SCHEMBL21982511 0.76 HRH4 (0.42) HRH4CCNT1CDK9PDE2AMAOB
SCHEMBL17758118 0.76 ACAT2 (0.37) CCNT1CDK9KCNN3MAOBHTR6
SCHEMBL17758116 0.75 HRH4 (0.39) HRH4CCNT1CDK9PDE2AMAOB
SCHEMBL17757007 0.74 CCNT1 (0.41) HRH4CCNT1CDK9MAOBHTR6
SCHEMBL17758127 0.74 HRH4 (0.38) HRH4CCNT1CDK9FLT3ADORA2A
SCHEMBL17757253 0.74 HRH4 (0.38) HRH4CCNT1CDK9PDE2APIK3CA
SCHEMBL17757014 0.73 HRH4 (0.39) HRH4CCNT1CDK9MAOBHTR6
SCHEMBL17757033 0.72 CCNT1 (0.42) HRH4CCNT1CDK9MAOBHTR6

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 3044/4885CCNT1 4252/4885CDK9 3993/4885

“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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