SCHEMBL5752935

SCHEMBL5752935

O=C(c1cccc2[nH]c(-c3cc[nH]n3)cc12)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCR3 P51677 1/20 0.38
MAPK14 Q16539 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MGLL Q99685 2/20 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
SCHEMBL6480272 0.88 HRH4 (0.43) HRH4KDM4EGLA
SCHEMBL6491091 0.86 HRH4 (0.57) HRH4GRM4
SCHEMBL6487131 0.81 MAPK14 (0.60) KDM4EALDH1A1MAPK14
SCHEMBL5755265 0.80 PBRM1 (0.40) HRH4KDM4EALDH1A1GLAGRIN2D
SCHEMBL5753668 0.77 KDR (0.45) HRH4PDE3BPDE3AMGLLCHEK1
SCHEMBL5754341 0.77 HSP90AA1 (0.41) MAPK14GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6488477 0.77 ALDH1A1 (0.42) KDM4EALDH1A1GLAPKMGRIN2D
SCHEMBL5752743 0.77 PARP1 (0.40) KDM4EALDH1A1PARP1
SCHEMBL5757328 0.75 L3MBTL1 (0.46) KDM4EALDH1A1PKM
SCHEMBL5757017 0.74 HDAC11 (0.43) KDM4EALDH1A1PKMMAPK14CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 HRH4 3130/4885KDM4E 765/4885ALDH1A1 2469/4885

“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.