SCHEMBL17992048

SCHEMBL17992048

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ GRM5 P41594 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
SCHEMBL17757183 0.90 KDM4E (0.38) KMT2AMEN1KDM4ETHRBTSHR
SCHEMBL17992072 0.90 KMT2A (0.38) KMT2AMEN1KDM4ETHRBTSHR
SCHEMBL17757185 0.89 THRB (0.38) KMT2AMEN1KDM4ETHRBMETAP2
SCHEMBL17992046 0.89 BRD4 (0.41) KMT2AMEN1KDM4ETHRBTSHR
SCHEMBL17757184 0.88 HTR1A (0.38) KMT2AMEN1KDM4ETHRBMETAP2
SCHEMBL17992057 0.87 CHRM2 (0.38) KMT2AMEN1KDM4ETHRBTSHR
SCHEMBL17757746 0.84 HRH4 (0.42) KMT2AMEN1TSHRCHRM2CHRM3
SCHEMBL17758032 0.84 ACAT2 (0.39) KMT2AKDM4EMETAP2HDAC3HDAC1
SCHEMBL17757475 0.83 ACAT2 (0.43) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL21982459 0.83 ADAMTS5 (0.36) KMT2AMEN1KDM4ETHRBTSHR

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 KMT2A 4303/4885MEN1 3824/4885KDM4E 3430/4885

“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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