SCHEMBL86046

SCHEMBL86046

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 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 0.92 KMT2A (0.45) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL78011 0.92 KMT2A (0.45) KMT2AMEN1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL78088 0.91 KMT2A (0.44) KMT2ALMNAMEN1POLBMAPT
Hydrochloric Acid SCHEMBL78089 0.91 KMT2A (0.44) KMT2ALMNAMEN1POLBMAPT
SCHEMBL86037 0.90 HTR1A (0.41) KMT2AMITFPOLBRAD52
SCHEMBL86184 0.89 KMT2A (0.43) KMT2AMITFLMNARXFP1MEN1
SCHEMBL86081 0.87 CD274 (0.45) KMT2APOLBALDH1A1
SCHEMBL86041 0.87 FLT3 (0.41)
SCHEMBL13380618 0.86 CHUK (0.40) POLBALDH1A1RAD52RAB9ANPC1
SCHEMBL86033 0.85 HDAC4 (0.45) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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 2270/4885LMNA 3563/4885

“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.