SCHEMBL5752805

SCHEMBL5752805

CCCCNC(=O)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
ALOX5 P09917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
USP2 O75604 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL5756543 0.94 HDAC11 (0.39) TSHRHTTALOX5SMN1; SMN2L3MBTL1
SCHEMBL5756000 0.90 MEN1 (0.46) HTTHPGDKDM4ERAB9AHSD17B10
SCHEMBL6488444 0.89 HDAC1 (0.44) HTTALOX5HPGDKDM4ERAB9A
SCHEMBL5754686 0.89 KDR (0.43) KDM4EHDAC11RIPK1MAPT
SCHEMBL6479357 0.89 KDM4E (0.49) HTTHPGDKDM4EHSD17B10HDAC1
SCHEMBL5757543 0.88 KDM4E (0.46) HPGDSMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL6479745 0.84 HDAC11 (0.38) SMN1; SMN2KDM4EHDAC1HDAC2HDAC11
SCHEMBL5756899 0.84 KMT2A (0.41) SMN1; SMN2GAAKDM4EHSD17B10HDAC11
SCHEMBL6490263 0.84 HDAC11 (0.41) ALOX5SMN1; SMN2GAAKDM4ENPSR1
SCHEMBL6478732 0.83 HDAC1 (0.36) TSHRHTTALOX5HPGDKDM4E

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 TSHR 2449/4885HTT 3440/4885ALOX5 3080/4885

“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.