SCHEMBL86180

SCHEMBL86180

NC(=O)/C(=C1\Nc2cc(F)c(C(=O)NCCCN3CCOCC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
BCL3 P20749 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KLK7 P49862 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TGFBR1 P36897 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL78012 0.89 KMT2A (0.45) KMT2AALDH1A1HTTNPSR1TSHR
SCHEMBL78011 0.89 KMT2A (0.45) KMT2AALDH1A1HTTNPSR1TSHR
Hydrochloric Acid SCHEMBL78088 0.88 KMT2A (0.44) KMT2AALDH1A1HTTNPSR1TSHR
Hydrochloric Acid SCHEMBL78089 0.88 KMT2A (0.44) KMT2AALDH1A1HTTNPSR1TSHR
SCHEMBL86036 0.86 GPR52 (0.43) KMT2ABCL3ALDH1A1GPR52HTT
SCHEMBL86071 0.84 KDM4E (0.40) KMT2AALDH1A1HTTNPSR1EPHX2
SCHEMBL86081 0.84 CD274 (0.45) KMT2AALDH1A1EPHX2POLB
SCHEMBL85816 0.82 POLB (0.44) KMT2AALDH1A1NPSR1EPHX2KDM4E
SCHEMBL86093 0.82 L3MBTL1 (0.40) EPHX2KDM4E
SCHEMBL85815 0.81 EPHX2 (0.41) EPHX2

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 KMT2A 378/4885BCL3 1315/4885ALDH1A1 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.