SCHEMBL86014

SCHEMBL86014

COc1ccnc(C(C(N)=O)=C2Nc3ccccc3N2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 8/20 0.33
TGFBR1 P36897 2/20 0.33
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL86435 0.83 GAA (0.34) NNMTMTNR1AMTNR1BPKN1PKN2
SCHEMBL77929 0.80 SMN1; SMN2 (0.37) MEN1MAPTKMT2A
SCHEMBL75928 0.77 TAS2R14 (0.38) TGFBR1
SCHEMBL28051846 0.74 NNMT (0.50) NNMTMTNR1AMTNR1BPKN1PKN2
SCHEMBL86172 0.70 MAPT (0.43) HCRTR1HCRTR2MAPTKMT2A
SCHEMBL31403767 0.69 MTNR1A (0.47) NNMTMTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL882971 0.69 MTNR1A (0.47) NNMTMTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL2723992 0.69 KMO (0.50) NNMTMTNR1AMTNR1B
SCHEMBL92861 0.68 ALDH1A1 (0.35) MEN1MAPTKMT2A
SCHEMBL86445 0.68 SYK (0.40) MEN1KMT2A

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 5 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-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
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 NNMT 979/4885MTNR1A 4242/4885MTNR1B 4069/4885

“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.