SCHEMBL13334384

SCHEMBL13334384

Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(F)nc3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.48
PIK3CA P42336 15/20 0.48
MTOR P42345 6/20 0.40
PDE1B Q01064 1/20 0.39
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PDE7B Q9NP56 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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 0.90 PRKDC (0.49) PRKDCPIK3CAMTOR
SCHEMBL9608318 0.86 ALDH1A1 (0.48) PRKDCPIK3CAMTORPDE1BPDE4A
SCHEMBL9608313 0.73 PDE1B (0.45) PDE1B
SCHEMBL13334361 0.72 PDE1B (0.47) PDE1B
SCHEMBL15943433 0.71 PDE4A (0.39) PRKDCPIK3CAMTORPDE1BPDE4A
SCHEMBL2612352 0.68 PDE1B (0.43) PRKDCPIK3CAMTORPDE1BPDE5A
SCHEMBL13334388 0.67 PDE1B (0.39) PDE1BPDE4A
SCHEMBL2455942 0.67 PDE1B (0.48) PDE1BPDE5APDE4APDE3BPDE11A
SCHEMBL9608307 0.67 PDE1B (0.48) PDE1BPDE5APDE4APDE3BPDE11A
SCHEMBL9608334 0.66 PDE1B (0.52) PDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 WO 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-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 PRKDC 3085/4885PIK3CA 288/4885MTOR 398/4885

“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.