SCHEMBL17992073

SCHEMBL17992073

CS(=O)(=O)N1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CYP2D6 P10635 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACAT2 Q9BWD1 1/20 0.36
▸ SLC6A9 P48067 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL17992075 0.89 ENPP2 (0.35) CCNT1CDK9ACAT2SLC6A9PIK3CA
SCHEMBL17757746 0.88 HRH4 (0.42) CCNT1CDK9CYP2D6MEN1KMT2A
SCHEMBL17992049 0.87 ENPP2 (0.37) CCNT1CDK9ACAT2SLC6A9
SCHEMBL17757475 0.86 ACAT2 (0.43) KMT2AACAT2MAOBHTR6
SCHEMBL17757740 0.86 ACAT2 (0.37) KMT2AACAT2PIK3CAPIK3CBMAOB
SCHEMBL17757186 0.85 ACAT2 (0.39) KMT2AACAT2PIK3CAPIK3CBMAOB
SCHEMBL17758032 0.85 ACAT2 (0.39) KMT2AACAT2PIK3CAPIK3CBMAOB
SCHEMBL17758087 0.85 ACAT2 (0.36) CCNT1CDK9KMT2AACAT2SLC6A9
SCHEMBL17757185 0.85 THRB (0.38) CYP2D6MEN1KMT2AALDH1A1
SCHEMBL17757752 0.85 PDE9A (0.37) CDK9ACAT2PIK3CAPIK3CBMAOB

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-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885CYP2D6 3869/4885

“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