SCHEMBL76409

SCHEMBL76409

N#CC(=C1Nc2ccccc2N1)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 3/20 0.36
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
GAA P10253 3/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL77650 0.78 GAA (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL77651 0.78 GAA (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL85782 0.74 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8292047 0.73 MEN1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5618365 0.70 MEN1 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4385860 0.70 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL77929 0.67 SMN1; SMN2 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL77797 0.63 MAPT (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22969900 0.62 MAPT (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
Water SCHEMBL3526962 0.60

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 1651/4885MAPT 3439/4885KDM4E 939/4885

“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.