SCHEMBL86036

SCHEMBL86036

NC(=O)/C(=C1\Nc2cccc(C(=O)NCCCN3CCOCC3)c2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.43
BCL3 P20749 1/20 0.42
TGFBR1 P36897 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 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
SCHEMBL86180 0.86 KMT2A (0.42) GPR52BCL3TGFBR1POLBALDH1A1
SCHEMBL78011 0.85 KMT2A (0.45) POLBALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL78012 0.85 KMT2A (0.45) POLBALDH1A1SMN1; SMN2HTTNPSR1
Hydrochloric Acid SCHEMBL78088 0.84 KMT2A (0.44) POLBALDH1A1SMN1; SMN2HTTNPSR1
Hydrochloric Acid SCHEMBL78089 0.84 KMT2A (0.44) POLBALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL85984 0.81 KMT2A (0.50) POLBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL76750 0.81 KMT2A (0.50) POLBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL76751 0.81 KMT2A (0.50) POLBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL86071 0.81 KDM4E (0.40) POLBALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL86081 0.80 CD274 (0.45) POLBALDH1A1KMT2A

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 GPR52 1592/4885BCL3 1315/4885TGFBR1 3765/4885

“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.