SCHEMBL9608318

SCHEMBL9608318

Cc1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3C2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PRKDC P78527 12/20 0.46
PIK3CA P42336 8/20 0.46
MTOR P42345 4/20 0.46
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 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
SCHEMBL9608346 0.88 PRKDC (0.49) ALDH1A1PRKDCPIK3CAMTOR
SCHEMBL13334384 0.86 PRKDC (0.48) PRKDCPIK3CAMTORPDE1BPDE4A
SCHEMBL9608334 0.72 PDE1B (0.52) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL2461370 0.72 PDE1A (0.49) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL9608309 0.72 PDE1B (0.43) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL2455942 0.71 PDE1B (0.48) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL9608316 0.71 PDE1B (0.58) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL2459282 0.71 PDE1B (0.71) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL9608307 0.70 PDE1B (0.48) ALDH1A1MAPTKDM4EPDE1APDE1B
SCHEMBL9608313 0.70 PDE1B (0.45) ALDH1A1PDE1APDE1BPDE1C

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-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 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-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 ALDH1A1 216/4885MAPT 966/4885KDM4E 1748/4885

“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.