SCHEMBL6480272

SCHEMBL6480272

O=C(c1cccc2[nH]c(-c3cc[nH]n3)cc12)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.43
CCKAR P32238 1/20 0.39
PLA2G7 Q13093 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 0.89 HRH4 (0.57) HRH4
SCHEMBL5752935 0.88 HRH4 (0.41) HRH4KDM4EGLA
SCHEMBL6487131 0.84 MAPK14 (0.60) KDM4ETSHRSMN1; SMN2LMNAHTT
SCHEMBL5755265 0.80 PBRM1 (0.40) HRH4KDM4EPOLBGAAHPGD
SCHEMBL5752743 0.79 PARP1 (0.40) KDM4EGAA
SCHEMBL5752672 0.77 HDAC11 (0.41) KDM4EMAPTTSHRHPGDSMN1; SMN2
SCHEMBL5757017 0.76 HDAC11 (0.43) KDM4EGAAMAPTTSHRHPGD
SCHEMBL6490732 0.76 CDK5 (0.48) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6479001 0.76 NPC1 (0.47) HRH4HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5757328 0.76 L3MBTL1 (0.46) KDM4EPOLBGAAMAPTHPGD

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 HRH4 3130/4885CCKAR 2922/4885PLA2G7 641/4885

“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.