SCHEMBL13334388

SCHEMBL13334388

CN1CCC(n2c(=O)n(C)c(=O)c3c(Nc4ccc(F)cc4)n(Cc4ccc(-n5cncn5)cc4)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.39
PDE2A O00408 1/20 0.39
PDE4D Q08499 1/20 0.39
CCR3 P51677 1/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
DPP4 P27487 2/20 0.34
CTSS P25774 1/20 0.34
CYP11B2 P19099 1/20 0.33
KDM1A O60341 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
LYN P07948 3/20 0.32
SRC P12931 3/20 0.32
BTK Q06187 3/20 0.32
PDE4A P27815 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
FSCN1 Q16658 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL13334343 0.81 PDE1B (0.42) PDE1BPDE2APDE4DCCR3TP53
SCHEMBL17656446 0.77 CCR3 (0.36) CCR3DPP4CYP11B2KDM1ADPP8
SCHEMBL17656420 0.76 CCR3 (0.36) CCR3DPP4KDM1ADPP8BTK
SCHEMBL2535845 0.73 PDE1B (0.49) PDE1BPDE2ATP53MAPTDPP4
SCHEMBL9608312 0.69 USP1 (0.45) PDE1BPDE2APDE4DTP53MAPT
SCHEMBL13334372 0.69 PDE1B (0.46) PDE1BPDE2APDE4DTP53MAPT
SCHEMBL9608318 0.68 ALDH1A1 (0.48) PDE1BPDE4DTP53MAPTPDE4A
SCHEMBL13334384 0.67 PRKDC (0.48) PDE1BPDE4A
SCHEMBL9608309 0.66 PDE1B (0.43) PDE1BPDE2APDE4DTP53MAPT
SCHEMBL8051665 0.65 PDE1B (0.65) PDE1BPDE2APDE4DDPP4PDE4A

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 PDE1B 4863/4885PDE2A 1451/4885PDE4D 1107/4885

“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.