SCHEMBL5756404

SCHEMBL5756404

CCOC(=O)C1(c2cc3ccccc3[nH]2)C=CNN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL5757483 0.86 NPC1 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5757196 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5260106 0.68 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
Hydrochloric Acid SCHEMBL6984470 0.67 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL29580772 0.67 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL42002 0.67 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
Hydrochloric Acid SCHEMBL16115604 0.66 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
Hydrochloric Acid SCHEMBL9036642 0.66 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL170083 0.65 HSD17B10 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL30086907 0.64 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2HPGDMAPT

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 765/4885ALDH1A1 2469/4885SMN1; SMN2 4414/4885

“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.