SCHEMBL14770695

SCHEMBL14770695

COc1ccc(C(OC(C)C)c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 4/20 0.45
▸ CDK1 P06493 4/20 0.45
▸ CCNB1 P14635 4/20 0.45
▸ CCNB3 Q8WWL7 4/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ GSK3A P49840 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ AURKA O14965 1/20 0.40
▸ MLKL Q8NB16 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SYK P43405 2/20 0.36

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
SCHEMBL12065646 0.86 PDE2A (0.41) RIPK1PDE2A
SCHEMBL14770516 0.81 GAA (0.46) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL14770686 0.81 MLKL (0.60) MLKLNPC1RAB9AKDM4EALDH1A1
SCHEMBL14770730 0.76 MLKL (0.44) MLKLNPC1RAB9AKDM4EALDH1A1
SCHEMBL16447860 0.73 ROCK2 (0.48) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL14770731 0.73 MEN1 (0.49) MLKLNPC1RAB9AKDM4EALDH1A1
SCHEMBL23181665 0.72 ALDH1A1 (0.35) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL12066053 0.72 MLKL (0.41) MLKLNPC1RAB9AKDM4EALDH1A1
SCHEMBL1106425 0.72 HSD17B10 (0.46) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL14770521 0.70 NPC1 (0.42) MLKLNPC1RAB9AKDM4EALDH1A1

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
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 — — US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 — — 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A CCNB2 2298/4885CDK1 597/4885CCNB1 1894/4885

“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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