SCHEMBL5756356

SCHEMBL5756356

CC(C)CC(=O)Nc1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CLK2 P49760 5/20 0.41
CLK3 P49761 5/20 0.41
DYRK1A Q13627 5/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MTNR1B P49286 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL6488337 0.84 PARP14 (0.44) KDM4ESMN1; SMN2POLBMTNR1BMEN1
SCHEMBL5759467 0.80 KDM4E (0.44) KDM4EADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL5756899 0.76 KMT2A (0.41) KDM4ESMN1; SMN2DYRK1APOLBGAA
SCHEMBL5752672 0.75 HDAC11 (0.41) KDM4EADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL5757017 0.72 HDAC11 (0.43) KDM4EGAATP53MAPTALDH1A1
SCHEMBL5754686 0.72 KDR (0.43) KDM4EMAPK1MTNR1BMAPT
SCHEMBL6490316 0.72 NHERF1 (0.47) KDM4ESMN1; SMN2TP53RXFP1MAPT
SCHEMBL5755265 0.71 PBRM1 (0.40) KDM4EMAPK1POLBGAAMEN1
SCHEMBL12284941 0.71 SMN1; SMN2 (0.59) SMN1; SMN2POLBGAAMAPTMEN1
SCHEMBL5756015 0.70 KDM4E (0.49) KDM4EADORA3SMN1; SMN2POLBTP53

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 765/4885ADORA1 2067/4885ADORA3 1782/4885

“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.