SCHEMBL5754644

SCHEMBL5754644

CCOC(=O)c1c[nH]nc1-c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ITK Q08881 5/20 0.43
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ AURKA O14965 1/20 0.42

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
SCHEMBL6487335 0.82 ITK (0.49) KDM4EMAPTRAB9ANPC1HPGD
SCHEMBL5759131 0.81 ITK (0.48) RAB9ANPC1ITK
SCHEMBL22258963 0.80 DRD2 (0.49) KDM4EALDH1A1ITK
SCHEMBL22258787 0.80 ITK (0.46) KDM4EALDH1A1GAAITKAURKA
SCHEMBL22258959 0.78 PIP5K1C (0.48) KDM4ELMNAITK
SCHEMBL15661115 0.78 HSD17B10 (0.50) KDM4EKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5756183 0.77 ALDH1A1 (0.48) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL2921221 0.76 JAK2 (0.57) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL6928259 0.75 CDC25B (0.54) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL30086907 0.75 ALDH1A1 (0.59) KDM4EMEN1KMT2ALMNAMAPT

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 KDM4E 765/4885MEN1 2784/4885KMT2A 1158/4885

“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.

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