SCHEMBL13312285

SCHEMBL13312285

CC(=O)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ XPO1 O14980 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL3433408 0.88 MGLL (0.43) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL125418 0.87 KDM4E (0.47) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL5717652 0.85 PARP1 (0.46) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL123859 0.85 MGLL (0.42) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL973413 0.85 ALOX15 (0.45) MGLLKMT2AKDM4EALDH1A1HTT
SCHEMBL11909549 0.85 LMNA (0.50) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL123322 0.81 KDM4E (0.53) KDM4EALDH1A1JUNNFKB1NFKB2
SCHEMBL30813138 0.81 KDM4E (0.53) KDM4EALDH1A1JUNNFKB1NFKB2
SCHEMBL30440154 0.80 MGLL (0.40) MGLLMEN1KMT2AKDM4ELMNA
SCHEMBL2192041 0.80 MGLL (0.40) MGLLMEN1KMT2AKDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 — — US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 — — US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 — — EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC MGLL 1305/4885MEN1 4260/4885KMT2A 3284/4885

“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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