SCHEMBL2870401

SCHEMBL2870401

Cc1cnc(Cl)nc1-c1cc2cccc(Br)c2s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FGFR1 P11362 1/20 0.31
PDK1 Q15118 2/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL2878980 0.86 BTK (0.35) BTKFGFR1
SCHEMBL394534 0.85 ABL1 (0.34) BTKFGFR1
SCHEMBL2925835 0.79 PDE10A (0.37) CA12CA1CA2CA9FGFR1
SCHEMBL2975858 0.78 HDAC3 (0.40) BTKFGFR1
SCHEMBL2927723 0.78 CA12 (0.30) CA12CA1CA2CA9FGFR1
SCHEMBL3963838 0.78 PIK3CD (0.41) CA1CA2CA9
SCHEMBL3968806 0.77 CA2 (0.42) BTKCA2FGFR1
SCHEMBL3969215 0.75 ESR1 (0.38)
SCHEMBL1337994 0.74 MEN1 (0.34) FGFR1
SCHEMBL3967424 0.73 MAPT (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563342-B Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer LILLY CO ELI 2012-09-05 CN disclosed
CN-101568539-B Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI 2012-04-25 CN disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
CN-101568539-A Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI (US) 2009-10-28 CN disclosed
CN-101563342-A Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer LILLY CO ELI (US) 2009-10-21 CN 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-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B BTK 1568/4885CA12 3247/4885CA1 2427/4885

“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.