SCHEMBL5757196

SCHEMBL5757196

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
DAO P14920 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FLT3 P36888 3/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDO Q99489 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
HRH4 Q9H3N8 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
SCHEMBL5757483 0.84 NPC1 (0.38) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL5756404 0.81 KDM4E (0.39) KDM4EMAPTHPGDHSD17B10FLT3
SCHEMBL3670209 0.64 DAO (0.45) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL8728739 0.63 DAO (0.41) KDM4EDAOMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL29395165 0.62 KDM4E (1.00) KDM4EDAOMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL1935 0.62 KDM4E (1.00) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL21048591 0.62 DAO (0.46) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL31184774 0.61 FLT3 (0.42) KDM4EDAOMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL3297085 0.61 KDM4E (0.96) KDM4EDAOMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL11743045 0.61 KDM4E (0.96) KDM4EDAOMAPTHPGDSRD5A2

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 765/4885DAO 2147/4885MAPT 1668/4885

“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.