SCHEMBL78475

SCHEMBL78475

CCN(CC)CC(=O)Nc1ccc(N)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MC4R P32245 1/20 0.49
SCN4A P35499 1/20 0.49
MC3R P41968 1/20 0.49
HTR3A P46098 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL6325836 0.82 ALDH1A1 (0.69) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3218312 0.80 ALDH1A1 (0.57) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL2096053 0.79 POLB (0.67) ALDH1A1GAAMAPTHPGDPOLB
SCHEMBL9630800 0.77 TERT (0.74) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL4305307 0.77 TERT (0.74) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL19312460 0.77 KDM4E (0.58) ALDH1A1MAPTTDP1POLBKDM4E
SCHEMBL10915942 0.77 ALDH1A1 (0.71) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL28861556 0.76 HPGD (0.56) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL2098192 0.76 HTT (0.62) ALDH1A1GAAMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL10946103 0.76 ALDH1A1 (0.69) ALDH1A1GAAMAPTHPGDSMN1; SMN2

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 4 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
EP-2346856-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. (US) 2011-07-27 EP 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
WO-2010036873-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. (US) 2010-04-01 WO 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 ALDH1A1 1651/4885GAA 2073/4885MAPT 3439/4885

“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.