SCHEMBL480214

SCHEMBL480214

Cc1cc(I)cnc1C#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TTR P02766 1/20 0.30
ALB P02768 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL4918585 0.78 NOS3 (0.46) PIK3CDKDM4EALDH1A1POLBJAK2
SCHEMBL23380207 0.77 ALDH1A1 (0.33) PIK3CDKDM4EALDH1A1POLB
SCHEMBL19251508 0.77 KDM4E (0.33) PIK3CDKDM4EALDH1A1POLBJAK2
SCHEMBL12941448 0.77 HTT (0.42) PIK3CDKDM4EALDH1A1
SCHEMBL4586295 0.75 KDM4E (0.40) PIK3CDKDM4EALDH1A1POLB
SCHEMBL12955779 0.75 PIK3CD (0.51) PIK3CDKDM4EALDH1A1POLB
SCHEMBL480098 0.75 PIK3CD (0.40) PIK3CDKDM4EALDH1A1POLBJAK2
SCHEMBL362107 0.75 CHEK1 (0.37) PIK3CDKDM4EALDH1A1POLBTTR
SCHEMBL3119330 0.75 EGLN2 (0.40) PIK3CDKDM4EALDH1A1POLBJAK2
SCHEMBL2076123 0.75 CHEK1 (0.37) PIK3CDKDM4EALDH1A1POLBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
CN-102348682-A 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2012-02-08 CN disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2011103202-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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 (2 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 PIK3CD 2095/4885KDM4E 1499/4885ALDH1A1 317/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 PIK3CD 138/4885KDM4E 913/4885ALDH1A1 3029/4885

“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.