SCHEMBL78020

SCHEMBL78020

CCN(C(=O)[C@@H]1CCCN1C)c1ccc(N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ITK Q08881 1/20 0.35
UCHL1 P09936 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3CD O00329 1/20 0.33
HSD11B1 P28845 1/20 0.32
USP30 Q70CQ3 1/20 0.32
F10 P00742 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL78021 1.00 POLQ (0.40) POLQCYP3A4CYP2D6ITKUCHL1
SCHEMBL79133 0.88 GAA (0.42) POLQCYP3A4CHRNB2CHRNA4LMNA
SCHEMBL79134 0.88 GAA (0.42) POLQCYP3A4CHRNB2CHRNA4LMNA
SCHEMBL20369012 0.70 KCNK3 (0.47) POLQCYP3A4CYP2D6LMNA
SCHEMBL12733430 0.69 BCHE (0.47) CYP3A4CYP2D6HTTLMNAKDM4E
SCHEMBL26343354 0.67 CYP3A4 (0.37) CYP3A4CYP2D6CHRNB2CHRNA4KDM4E
SCHEMBL76546 0.66 S100B (0.37) POLQCYP3A4CYP2D6CHRNA4LMNA
SCHEMBL79301 0.66 ALDH1A1 (0.52) CYP3A4CYP2D6HTTLMNAKDM4E
SCHEMBL76416 0.66 ALDH1A1 (0.52) CYP3A4CYP2D6HTTLMNAKDM4E
SCHEMBL76417 0.66 ALDH1A1 (0.52) CYP3A4CYP2D6HTTLMNAKDM4E

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-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 POLQ 2910/4885CYP3A4 4232/4885CYP2D6 4473/4885

“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.