SCHEMBL394534

SCHEMBL394534

Fc1cnc(Cl)nc1-c1cc2cccc(Br)c2s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
BTK Q06187 1/20 0.33
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
FGFR1 P11362 1/20 0.31
RPS6KA5 O75582 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 0.88 BTK (0.35) BTKFGFR1RPS6KA5
SCHEMBL2870401 0.85 BTK (0.33) BTKFGFR1
SCHEMBL2975858 0.80 HDAC3 (0.40) ABL1BCRBTKFGFR1
SCHEMBL4075180 0.79 DCK (0.43) MAPT
SCHEMBL2923179 0.79 TDO2 (0.39) TDO2FGFR1
SCHEMBL27795770 0.76
SCHEMBL594142 0.76 CA12 (0.30)
SCHEMBL3968806 0.75 CA2 (0.42) BTKMAPTFGFR1
SCHEMBL394127 0.75 LIMK1 (0.31)
SCHEMBL1337994 0.75 MEN1 (0.34) MAPTFGFR1

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 13 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-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
CN-101568539-B Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI 2012-04-25 CN disclosed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US 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
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 CN 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 (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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 ABL1 497/4885BCR 3817/4885BTK 2035/4885
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B ABL1 280/4885BCR 2096/4885BTK 1568/4885

“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.