Sugi Predict

Sugi Predict / Compounds / SCHEMBL6522337

SCHEMBL6522337

SCHEMBL6522337

O=C(CN1CCC(Nc2ccnc3[nH]c(=O)c4ccccc4c23)CC1)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.55
▸ AURKB Q96GD4 10/20 0.55
▸ PARP1 P09874 4/20 0.51
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ RET P07949 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ LIMK1 P53667 2/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ ABL2 P42684 1/20 0.47
▸ BLK P51451 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ HCK P08631 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ SIK1 P57059 1/20 0.46

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
SCHEMBL6521959 0.94 AURKA (0.51) AURKAAURKBPARP1CHEK2RET
SCHEMBL6532672 0.91 PARP1 (0.54) AURKAAURKBPARP1CHEK2RET
SCHEMBL6529243 0.88 AURKA (0.49) AURKAAURKBPARP1CHEK2RET
SCHEMBL6521353 0.87 MEN1 (0.53) AURKAAURKBPARP1HTTCHEK2
SCHEMBL6517382 0.87 AURKA (0.53) AURKAAURKBPARP1CHEK2RET
SCHEMBL6530953 0.86 AURKA (0.45) AURKAAURKBPARP1CHEK2RET
SCHEMBL6522974 0.85 MAPK1 (0.52) AURKAAURKBPARP1CHEK2RET
SCHEMBL6530755 0.84 ALDH1A1 (0.49) AURKAAURKBPARP1SMN1; SMN2CHEK2
SCHEMBL6521523 0.84 AURKA (0.53) AURKAAURKBPARP1CHEK2RET
SCHEMBL6532315 0.84 TLR9 (0.44) AURKAAURKBPARP1CHEK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP claimed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 — — 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885AURKB 487/4885PARP1 1693/4885

“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.