Sugi Predict

Sugi Predict / Compounds / SCHEMBL6517847

SCHEMBL6517847

SCHEMBL6517847

O=C(NCC1CCCCC1)N1CCC(Nc2ccnc3[nH]c(=O)c4ccccc4c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.49
▸ JUN P05412 3/20 0.43
▸ MAPK8 P45983 3/20 0.43
▸ MAPK9 P45984 3/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ AURKA O14965 6/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ MAPK13 O15264 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ RET P07949 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ SIK1 P57059 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ WNK3 Q9BYP7 1/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL6531373 0.86 GRIN2B (0.49) JUNMAPK8MAPK9MAPK10CDK2
SCHEMBL6522039 0.84 AURKA (0.50) JUNMAPK8MAPK9MAPK10CDK2
SCHEMBL12787353 0.83 ALDH1A1 (0.50) AURKAAURKB
SCHEMBL6524188 0.81 AURKA (0.48) JUNMAPK8MAPK9MAPK10CDK2
SCHEMBL6526955 0.79 AURKA (0.47) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6523583 0.79 ALDH1A1 (0.50) AURKAAURKB
SCHEMBL6530755 0.78 ALDH1A1 (0.49) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6521481 0.76 AURKA (0.46) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6530953 0.76 AURKA (0.45) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6532632 0.75 ROCK2 (0.53) AURKAAURKBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 UTS2R 2772/4885JUN 791/4885MAPK8 55/4885

“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.