SCHEMBL2553563

SCHEMBL2553563

CC(C)(C)OC(=O)N1CCC(CN2CCCn3nc4ccccc4c3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
FPR2 P25090 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
BACE1 P56817 1/20 0.41
MERTK Q12866 1/20 0.41
DTYMK P23919 1/20 0.40
KDM1A O60341 1/20 0.40
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 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
SCHEMBL2553864 0.95 KDM4E (0.46) KDM4EPKMFPR2GPR119PIK3CD
SCHEMBL2556694 0.90 ACKR3 (0.45) FPR2BACE1KDM1A
SCHEMBL2554249 0.86 ACKR3 (0.45) BACE1KDM1A
SCHEMBL2550969 0.80 ROCK1 (0.46) KDM4ETP53
SCHEMBL2556796 0.75 TACR3 (0.46) KDM4ETP53
SCHEMBL27402508 0.75 GPR119 (0.54) KDM4EPKMFPR2GPR119BACE1
SCHEMBL2557120 0.74 CCR3 (0.46)
SCHEMBL1995835 0.74 KDM4E (0.46) KDM4EPKMGPR119PIK3CDPIK3R2
SCHEMBL31402474 0.74 KDM4E (0.50) KDM4EPKMFPR2GPR119KDM1A
SCHEMBL12635860 0.72 KDM4E (0.56) KDM4EPKMFPR2GPR119BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655906-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-05-23 US disclosed
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F S.P.A. (IT) 2015-11-12 US disclosed
US-9120801-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2015-09-01 US disclosed
EP-2556074-B1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ACRAF (IT) 2015-01-21 EP disclosed
EP-2556074-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2013-02-13 EP disclosed
US-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R. (IT) 2013-01-24 US disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 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 (2 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-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 KDM4E 3845/4885PKM 559/4885FPR2 2291/4885
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 KDM4E 3845/4885PKM 559/4885FPR2 2291/4885

“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.