SCHEMBL5531002

SCHEMBL5531002

NCCN1CCC(Nc2nc3ccccc3n2CCc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.52
KCNH2 Q12809 12/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HRH1 P35367 2/20 0.50
NR4A2 P43354 1/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
EED O75530 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
HLA-A P04439 1/20 0.48
ERBB2 P04626 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL14173590 0.95 KCNH2 (0.53) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL4987366 0.92 HRH1 (0.58) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL9630130 0.86 HRH1 (0.53) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL14173575 0.85 HRH1 (0.55) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL9699544 0.83 HRH1 (0.47) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL11480928 0.83 SSTR5 (0.78) SSTR5KCNH2HRH1NR4A2HTT
SCHEMBL14173608 0.83 KCNH2 (0.57) SSTR5KCNH2ALDH1A1HRH1NR4A2
SCHEMBL4991699 0.82 HRH1 (0.72) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL5114196 0.81 SSTR5 (0.54) SSTR5KCNH2HRH1NR4A2HTT
SCHEMBL4989602 0.81 KCNH2 (0.49) SSTR5KCNH2KDM4EALDH1A1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US claimed
US-20050239771-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-27 US claimed

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-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 SSTR5 4137/4885KCNH2 1331/4885KDM4E 2840/4885

“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.