SCHEMBL86219

SCHEMBL86219

Cc1cc2c(cc1C)NC(=C(C(N)=O)c1ncc(C(=O)NCCCN3CCOCC3)c(C(F)(F)F)n1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.46
MERTK Q12866 2/20 0.46
GAS6 Q14393 2/20 0.46
TSHR P16473 1/20 0.45
SMYD2 Q9NRG4 1/20 0.43
PDE4B Q07343 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL86501 0.95 PDE4B (0.47) TYRO3MERTKGAS6PDE4BHSD17B10
SCHEMBL85818 0.91 BCL3 (0.45) TYRO3MERTKGAS6TSHRSMYD2
SCHEMBL86096 0.86 PDE4B (0.46) PDE4BSMN1; SMN2
SCHEMBL86107 0.83 BCL3 (0.42) TYRO3MERTKGAS6TSHRSMYD2
SCHEMBL86094 0.78 PDE4B (0.44) PDE4B
SCHEMBL76751 0.76 KMT2A (0.50) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL76750 0.76 KMT2A (0.50) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL85984 0.76 KMT2A (0.50) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL76600 0.76 KMT2A (0.49) TSHRKDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL76599 0.76 KMT2A (0.49) TSHRKDM4EALDH1A1SMN1; SMN2MAPT

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 TYRO3 796/4885MERTK 642/4885GAS6 2335/4885

“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.