SCHEMBL949576

SCHEMBL949576

Cc1nc(C)c(-c2ccncc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.49
▸ CSNK1A1 P48729 2/20 0.49
▸ CSNK1D P48730 2/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CSNK1G1 Q9HCP0 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ MAPK14 Q16539 7/20 0.41
▸ GCGR P47871 4/20 0.41
▸ MAPK13 O15264 5/20 0.41
▸ MAPK12 P53778 5/20 0.41
▸ MAPK11 Q15759 5/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PDE3B Q13370 4/20 0.39

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
SCHEMBL5850257 0.81 KDM4E (0.68) KDM4EHPGDSMN1; SMN2LMNAMAPT
SCHEMBL17654426 0.78 SMN1; SMN2 (0.44) KDM4EHPGDSMN1; SMN2MAPK14GCGR
SCHEMBL1387860 0.76 KDM4E (0.83) KDM4EHPGDSMN1; SMN2MAPK14GCGR
SCHEMBL9281941 0.76 BRAF (0.47) GSK3BCSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL12910327 0.75 HPGD (0.55) GSK3BKDM4EHPGDSMN1; SMN2MAPK14
SCHEMBL27335373 0.73 MAPK14 (0.69) GSK3BCSNK1A1CSNK1DKDM4EHPGD
SCHEMBL9196324 0.73 MAPK11 (0.69) GSK3BCSNK1A1CSNK1DKDM4EHPGD
SCHEMBL19868944 0.73 MAPK14 (0.62) GSK3BCSNK1A1CSNK1DKDM4EHPGD
SCHEMBL19868943 0.71 MAPK14 (0.67) GSK3BKDM4ESMN1; SMN2MAPK14GCGR
SCHEMBL24427789 0.71 MKNK1 (0.46) CSNK1DKDM4EHPGDSMN1; SMN2MAPK14

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 2784/4885CSNK1A1 3129/4885CSNK1D 1468/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GSK3B 2365/4885CSNK1A1 3176/4885CSNK1D 1450/4885

“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.

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