SCHEMBL394127

SCHEMBL394127

Oc1cnccc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.31
RPS6KA3 P51812 2/20 0.30
LIMK2 P53671 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL27795770 0.86
SCHEMBL391723 0.84 ALDH1A1 (0.37) RPS6KA3KDM4E
SCHEMBL2923179 0.84 TDO2 (0.39) KDM4E
SCHEMBL388969 0.83 PIP4K2A (0.33) LIMK1KDM4E
SCHEMBL391679 0.81 ALDH1A1 (0.31)
SCHEMBL2878614 0.77 JAK2 (0.37) RPS6KA3
SCHEMBL594142 0.77 CA12 (0.30)
SCHEMBL2878488 0.76 CDK4 (0.32)
SCHEMBL394534 0.75 ABL1 (0.34)
SCHEMBL593960 0.75 MKNK1 (0.32)

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 11 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-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 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
CN-101563342-A Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer LILLY CO ELI (US) 2009-10-21 CN disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 LIMK1 1965/4885RPS6KA3 846/4885LIMK2 1941/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP LIMK1 3746/4885RPS6KA3 1833/4885LIMK2 3212/4885

“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.