SCHEMBL612604

SCHEMBL612604

CC1(C)NC(=O)c2sc(Br)cc2N1CC(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL614189 0.80 CDK2 (0.57) HTTGAAPOLBSMN1; SMN2KDM4E
SCHEMBL614055 0.68 CDC7 (0.57)
SCHEMBL614090 0.67 CDC7 (0.35)
SCHEMBL3719156 0.62 GAA (0.51) HTTGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL2617938 0.60 SMN1; SMN2 (0.44) HTTGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL614072 0.59 PTGS2 (0.44) HTTGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL18412814 0.58 ALDH1A1 (0.47) GAAPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL13812249 0.57 KDM4E (0.48) HTTGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL31251504 0.57 HTT (0.49) HTTGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL15230156 0.57 POLB (0.47) HTTGAAPOLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK HTT 4327/4885GAA 3122/4885POLB 1130/4885

“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.