SCHEMBL595151

SCHEMBL595151

Fc1ncc(C2CC2)cc1I

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PSMB5 P28074 1/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 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
SCHEMBL17156238 0.79 KDM4E (0.40) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL23181529 0.78 KDM4E (0.39) KDM4EPDGFRBPDGFRAPSMB5
SCHEMBL21712544 0.76 KDM4E (0.38) KDM4EPDGFRBPDGFRAPSMB5
SCHEMBL1337894 0.76 CYP11B1 (0.38)
SCHEMBL16908273 0.72 KDM4E (0.38) KDM4ES1PR1S1PR3
SCHEMBL21329052 0.71 KDM4E (0.37) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL19493694 0.71 KDM4E (0.37) KDM4EPDGFRBPDGFRA
SCHEMBL8774196 0.68 RXRA (0.33) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL8774188 0.68 RXRA (0.33) KDM4EPDGFRBPDGFRAS1PR1S1PR3
SCHEMBL21446933 0.68 ADRB3 (0.39) KDM4EPDGFRBPDGFRAS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057975-A1 MUTANT IDH2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2021-04-01 WO 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-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
EP-2125794-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
CN-101568539-A Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI (US) 2009-10-28 CN disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
WO-2008076705-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 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-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B KDM4E 659/4885PDGFRB 3938/4885PDGFRA 3727/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP KDM4E 1989/4885PDGFRB 1151/4885PDGFRA 1026/4885

“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.