SCHEMBL4527871

SCHEMBL4527871

CN1CCN(c2nc(N)nc3ccc(Cl)nc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.63
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL11888735 0.85 LMNA (0.47) HRH4
SCHEMBL823672 0.83 HRH4 (0.44) HRH4KCNH2HRH3
SCHEMBL3922884 0.83 HRH4 (0.48) HRH4KCNH2HRH3
SCHEMBL823685 0.83 MAPT (0.49) HRH4
SCHEMBL4525875 0.83 PDE4A (0.46) HRH4
SCHEMBL8146567 0.79 HRH4 (0.51) HRH4KCNH2HRH3
SCHEMBL3921055 0.78 PI4KB (0.48) HRH4KCNH2HRH3
SCHEMBL4528000 0.77 HRH4 (0.55) HRH4KCNH2HRH3
SCHEMBL4525820 0.76 PIK3CA (0.39) HRH4
SCHEMBL4524713 0.72 HRH4 (0.40) HRH4KCNH2HRH3

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO HRH4 1280/4885KCNH2 2619/4885HRH3 1273/4885

“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.