SCHEMBL2845748

SCHEMBL2845748

CCO[C@H]1CN(C(=S)n2ccnc2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.33
KCNH2 Q12809 2/20 0.32
HTR4 Q13639 2/20 0.32
TOP2A P11388 1/20 0.31

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
SCHEMBL2845743 1.00 ACKR3 (0.33) ACKR3KCNH2HTR4TOP2A
SCHEMBL2846147 0.93 HTR4 (0.39) KCNH2HTR4
SCHEMBL2846143 0.93 HTR4 (0.39) KCNH2HTR4
SCHEMBL2846609 0.84 TOP2A (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL2846611 0.84 TOP2A (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL2847118 0.83 ACKR3 (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL2847115 0.83 ACKR3 (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL2824516 0.82 ACKR3 (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL13173537 0.82 ACKR3 (0.36) ACKR3KCNH2HTR4TOP2A
SCHEMBL2852495 0.81 TOP2A (0.36) ACKR3KCNH2HTR4TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ACKR3 4774/4885KCNH2 2740/4885HTR4 1184/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ACKR3 4703/4885KCNH2 2469/4885HTR4 1697/4885

“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.