SCHEMBL615178

SCHEMBL615178

CC(C)(C)OC(=O)Nc1ccc(C2=CCC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.49
CYP17A1 P05093 3/20 0.48
PRKDC P78527 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
CD274 Q9NZQ7 1/20 0.44
MAP4K4 O95819 1/20 0.43
NAMPT P43490 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
DRD2 P14416 1/20 0.41
LIPE Q05469 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
BCL2 P10415 3/20 0.39
BECN1 Q14457 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL30728980 0.84 NAMPT (0.39) PSMB8CYP17A1PRKDCBRD4CREBBP
SCHEMBL20865536 0.79 CYP17A1 (0.68) PSMB8CYP17A1PRKDCBRD4CREBBP
SCHEMBL13055402 0.77 CYP17A1 (0.59) PSMB8CYP17A1MAP4K4NAMPTCA12
SCHEMBL23728299 0.75 PSMB8 (0.48) PSMB8CYP17A1PRKDCBRD4CREBBP
SCHEMBL30817405 0.74 MAPT (0.50) PSMB8PRKDCCD274NAMPTDRD2
SCHEMBL12995665 0.73 PSMB8 (0.46) PSMB8CYP17A1PRKDCBRD4CREBBP
SCHEMBL29986622 0.73 PRKDC (0.49) PSMB8CYP17A1PRKDCCD274NAMPT
SCHEMBL18570243 0.73 CYP17A1 (0.61) PSMB8CYP17A1CD274MAP4K4NAMPT
SCHEMBL3968632 0.73 CYP17A1 (0.61) PSMB8CYP17A1PRKDCBRD4CD274
SCHEMBL615625 0.73 PSMB8 (0.46) PSMB8CYP17A1PRKDCBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612408-B2 Pyrazolone-fused pyrimidine compound, preparation method for same and applications thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2026-04-28 US disclosed
US-20220259210-A1 Pyrazolone-Fused Pyrimidine Compound, Preparation Method for Same and Applications Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-08-18 US disclosed
EP-3992193-A1 PYRAZOLOPYRIMIDINE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-05-04 EP disclosed
EP-3992193-A1 PYRAZOLOPYRIMIDINE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-05-04 EP disclosed
WO-2020259703-A1 PYRAZOLOPYRIMIDINE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF 上海医药集团股份有限公司 2020-12-30 WO disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 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 (4 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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PSMB8 3440/4885CYP17A1 508/4885PRKDC 4509/4885
US-20220259210-A1 Pyrazolone-Fused Pyrimidine Compound, Preparation Method for Same and Applications Thereof WEE1, WEE2, PDXK PSMB8 3458/4885CYP17A1 861/4885PRKDC 64/4885
US-12612408-B2 Pyrazolone-fused pyrimidine compound, preparation method for same and applications thereof WEE1, WEE2, TK1 PSMB8 3857/4885CYP17A1 144/4885PRKDC 177/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PSMB8 3440/4885CYP17A1 508/4885PRKDC 4509/4885

“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.