SCHEMBL6487131

SCHEMBL6487131

O=C(c1cccc2[nH]c(-c3cc[nH]n3)cc12)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.60
HTT P42858 2/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WNK1 Q9H4A3 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 1/20 0.45
F12 P00748 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6491091 0.84 HRH4 (0.57)
SCHEMBL6480272 0.84 HRH4 (0.43) HTTTSHRSMN1; SMN2LMNAKDM4E
SCHEMBL5752935 0.81 HRH4 (0.41) MAPK14KDM4EALDH1A1
SCHEMBL6491182 0.81 MAPK14 (0.63) MAPK14HTTMEN1KMT2ATSHR
SCHEMBL6478882 0.81 MAPK14 (0.62) MAPK14HTTMEN1KMT2ATSHR
SCHEMBL5756316 0.76 KDM4E (0.53) MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11044787 0.74 MAPK14 (0.69) MAPK14HTTMEN1KMT2ATSHR
SCHEMBL5752743 0.73 PARP1 (0.40) KDM4EALDH1A1
SCHEMBL7130439 0.72 LMNA (0.72) MAPK14HTTMEN1KMT2ATSHR
SCHEMBL5755838 0.72 BRAF (0.44) MEN1KMT2ASMN1; SMN2LMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPK14 174/4885HTT 3440/4885MEN1 2784/4885

“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.