SCHEMBL86107

SCHEMBL86107

NC(=O)/C(=C1\Nc2ccccc2S1)c1ncc(C(=O)NCCCN2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
SMYD2 Q9NRG4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40

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
SCHEMBL86094 0.95 PDE4B (0.44) BCL3KMT2ABCHEPDE4B
SCHEMBL85818 0.90 BCL3 (0.45) BCL3POLBALDH1A1KDM4EPKM
SCHEMBL86096 0.85 PDE4B (0.46) BCL3KMT2ASMN1; SMN2PDE4B
SCHEMBL86219 0.83 TYRO3 (0.46) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL86036 0.79 GPR52 (0.43) BCL3POLBALDH1A1KDM4EPKM
SCHEMBL86501 0.78 PDE4B (0.47) BCL3POLBALDH1A1KDM4EKMT2A
SCHEMBL86180 0.78 KMT2A (0.42) BCL3POLBALDH1A1KDM4EPKM
SCHEMBL78012 0.77 KMT2A (0.45) POLBALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL78011 0.77 KMT2A (0.45) POLBALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL77884 0.77 GAA (0.37) POLBALDH1A1KMT2ABCHEMAOA

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 BCL3 1315/4885POLB 2376/4885ALDH1A1 1651/4885

“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.