SCHEMBL86184

SCHEMBL86184

CCN1CCN(CCCNC(=O)c2ccc3c(c2)N/C(=C(/C(N)=O)c2nccc(C(F)(F)F)n2)N3)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.41
SLC6A4 P31645 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
CHEK1 O14757 2/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 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
SCHEMBL76750 0.92 KMT2A (0.50) KMT2ARAB9AMEN1ALDH1A1MAPT
SCHEMBL76751 0.92 KMT2A (0.50) KMT2ARAB9AMEN1ALDH1A1MAPT
SCHEMBL85984 0.92 KMT2A (0.50) KMT2ARAB9AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL76599 0.91 KMT2A (0.49) KMT2ARAB9AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL76600 0.91 KMT2A (0.49) KMT2ARAB9AMEN1ALDH1A1MAPT
SCHEMBL86046 0.89 KMT2A (0.43) KMT2AMITFRAB9AMEN1LMNA
SCHEMBL86451 0.87 HTR1A (0.42) KMT2ARAB9AMEN1CHEK1DRD2
SCHEMBL86078 0.87 CD274 (0.47) KMT2ARAB9AMEN1POLB
SCHEMBL86040 0.86 FLT3 (0.41) LMNAGAAMAPTTHRB
SCHEMBL92837 0.85 MAPK8 (0.43) RAB9AGAAALDH1A1NPC1CHEK1

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 378/4885MITF 2270/4885RAB9A 3879/4885

“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.