SCHEMBL77797

SCHEMBL77797

N#CC(C(=O)O)=C1Nc2ccccc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 3/20 0.66
TSHR P16473 3/20 0.55
POLB P06746 2/20 0.55
ESR1 P03372 1/20 0.55
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTK2B Q14289 1/20 0.43
RAB9A P51151 4/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL78368 0.76 GAA (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL78367 0.76 GAA (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11618463 0.73 ALOX5 (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11618464 0.73 ALOX5 (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4385860 0.73 ALDH1A1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11325553 0.72 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11325556 0.72 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL648276 0.68 HPGD (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8816394 0.67 MEN1 (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9263237 0.65 ALDH1A1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 MAPT 3439/4885SMN1; SMN2 3379/4885MEN1 3485/4885

“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.