SCHEMBL948854

SCHEMBL948854

CCc1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPK1 P28482 4/20 0.37
IDO1 P14902 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
PDPK1 O15530 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 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
SCHEMBL1919006 0.86 GSK3B (0.49) GSK3BCCNCCDK8MAPK1IDO1
SCHEMBL457222 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1MAPTNPC1ALDH1A1
SCHEMBL4788593 0.81 LOXL2 (0.41) GSK3BSMN1; SMN2CCNCCDK8MAPK1
SCHEMBL27909694 0.81 RAD51 (0.42) SMN1; SMN2LMNAMAPTNPC1ALDH1A1
SCHEMBL14039561 0.81 METAP2 (0.47) SMN1; SMN2LMNAMAPTNPC1ALDH1A1
SCHEMBL8010665 0.80 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL8012285 0.80 TLR8 (0.39) SMN1; SMN2LMNAMAPTNPC1ALDH1A1
SCHEMBL28079633 0.80 NPC1 (0.42) SMN1; SMN2MAPK1LMNAMAPTNPC1
SCHEMBL19405233 0.80 ALDH1A1 (0.39) SMN1; SMN2MAPK1NPC1ALDH1A1RAB9A
SCHEMBL17599659 0.80 HEXA (0.42) NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GSK3B 2784/4885SMN1; SMN2 3368/4885CCNC 1358/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GSK3B 2365/4885SMN1; SMN2 3635/4885CCNC 1214/4885

“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.