SCHEMBL86173

SCHEMBL86173

NC(=O)C(=C1Nc2ccccc2N1)c1nc(N)cc(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
JAK2 O60674 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
HPGD P15428 1/20 0.32
BACE1 P56817 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GRM4 Q14833 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALPL P05186 2/20 0.30
ALPI P09923 2/20 0.30
KMT2A Q03164 2/20 0.30
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL76928 0.88 HSP90AA1 (0.40) KDM4EHSD17B10MAPTCDK8CDK19
SCHEMBL86012 0.85 NOX1 (0.37) KDM4EJAK2HSD17B10MAPTCDK8
SCHEMBL75928 0.81 TAS2R14 (0.38) P2RX7
SCHEMBL92860 0.77 NOX1 (0.40) HSD17B10MAPTHPGDKMT2AALDH1A1
SCHEMBL85786 0.73 NOX1 (0.37) KDM4EHSD17B10MAPTCDK8CDK19
SCHEMBL76594 0.72 NOX1 (0.36) HSD17B10MAPTHPGDKMT2AALDH1A1
SCHEMBL76593 0.72 NOX1 (0.36) HSD17B10MAPTHPGDKMT2AALDH1A1
SCHEMBL85790 0.72 KMO (0.35) JAK2CDK8
SCHEMBL86102 0.71 SYK (0.38)
SCHEMBL77929 0.70 SMN1; SMN2 (0.37) KDM4EHSD17B10MAPTKMT2AP2RX7

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 KDM4E 939/4885JAK2 133/4885HSD17B10 3204/4885

“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.