SCHEMBL2398435

SCHEMBL2398435

Clc1nc(N2CCOCC2)c2nc(CN3CCN4CCOCC4C3)n(C3CCCCO3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
PIK3CD O00329 3/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC1 Q13547 1/20 0.33
YTHDC1 Q96MU7 1/20 0.31
CNR2 P34972 4/20 0.31

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
SCHEMBL2398430 1.00 HRH3 (0.38) HRH3PIK3CDCYP3A4HDAC1YTHDC1
SCHEMBL2398432 1.00 HRH3 (0.38) HRH3PIK3CDCYP3A4HDAC1YTHDC1
SCHEMBL2395856 0.82 HRH3 (0.39) HRH3PIK3CDCYP3A4HDAC1CNR2
SCHEMBL2395848 0.82 HRH3 (0.39) HRH3PIK3CDCYP3A4HDAC1CNR2
SCHEMBL2673423 0.82 PIK3CD (0.43) HRH3PIK3CDHDAC1YTHDC1
SCHEMBL2674294 0.81 ATR (0.37) HRH3PIK3CDHDAC1
SCHEMBL2101166 0.80 PIK3CD (0.45) PIK3CDHDAC1
SCHEMBL2394343 0.80 HDAC1 (0.39) PIK3CDHDAC1YTHDC1
SCHEMBL9937266 0.80 HDAC1 (0.37) HRH3PIK3CDCYP3A4HDAC1YTHDC1
SCHEMBL9936995 0.80 HDAC1 (0.40) HRH3PIK3CDCYP3A4HDAC1YTHDC1

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
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA HRH3 2781/4885PIK3CD 2/4885CYP3A4 1297/4885

“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.