SCHEMBL6489709

SCHEMBL6489709

CN1CCN(C(=O)c2ccc3[nH]c(-c4cc[nH]n4)cc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.59
HRH4 Q9H3N8 14/20 0.57
HRH3 Q9Y5N1 3/20 0.49
HRH1 P35367 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
RIPK1 Q13546 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL6479000 0.91 KDR (0.51) KDRHRH4HPGDTSHRRIPK1
SCHEMBL6479001 0.89 NPC1 (0.47) KDRHRH4HRH3HPGDRIPK1
SCHEMBL5753668 0.86 KDR (0.45) KDRHRH4HRH3MGLL
SCHEMBL6478882 0.83 MAPK14 (0.62) TSHRMGLLMEN1KMT2A
SCHEMBL6490732 0.80 CDK5 (0.48) HRH3HPGDRIPK1MEN1KMT2A
SCHEMBL5754444 0.78 HRH3 (0.46) HRH3HPGD
SCHEMBL6480600 0.77 CHEK1 (0.43) HPGDMEN1KMT2A
SCHEMBL13646754 0.77 HRH4 (0.64) KDRHRH4HRH3HRH1HPGD
SCHEMBL5755806 0.77 MMP2 (0.47) RIPK1
SCHEMBL5754341 0.77 HSP90AA1 (0.41) KDR

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 KDR 1419/4885HRH4 3130/4885HRH3 3112/4885

“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.