SCHEMBL13156342

SCHEMBL13156342

COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cc(F)ccc3C3CCCN(C(=O)OC(C)(C)C)CC3)cs1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.62
JAK2 O60674 2/20 0.52
ROCK2 O75116 1/20 0.52
IGF1R P08069 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
RPS6KA3 P51812 1/20 0.52
NEK2 P51955 1/20 0.52
STK3 Q13188 1/20 0.52
CAMK4 Q16566 1/20 0.52
TSSK2 Q96PF2 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL13323359 0.86 CHEK1 (0.74) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13156340 0.86 CHEK1 (0.78) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13156307 0.79 CHEK1 (0.74) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13322864 0.78 CHEK1 (0.78) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13954643 0.78 CHEK1 (0.65) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13156341 0.77 CHEK1 (1.00) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13322868 0.77 CHEK1 (0.73) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13156345 0.76 CHEK1 (0.94) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL13322996 0.73 CHEK1 (0.64) CHEK1JAK2ROCK2IGF1RMAPK1
SCHEMBL16519601 0.72 CHEK1 (0.87) CHEK1JAK2ROCK2IGF1RMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB CHEK1 61/4885JAK2 2406/4885ROCK2 390/4885

“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.