SCHEMBL29790133

SCHEMBL29790133

COc1ccc(Cn2c(=O)n(C)c(=O)c3c(Nc4ccccc4)n(Cc4ccc(-c5cccc(F)n5)cc4)nc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 4/20 0.78
PDE4A P27815 8/20 0.49
PDE1A P54750 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE2A O00408 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE8A O60658 1/20 0.47
PDE5A O76074 1/20 0.47
PDE9A O76083 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE11A Q9HCR9 1/20 0.47
PDE7B Q9NP56 1/20 0.47
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL23069606 1.00 PDE1B (0.78) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL193846 0.88 PDE1B (0.59) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL193943 0.88 PDE1B (0.60) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL23083001 0.87 PDE1B (0.59) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL29790114 0.86 PDE1B (0.57) PDE1BPDE4APDE5AALDH1A1POLB
SCHEMBL23069655 0.86 PDE1B (0.57) PDE1BPDE4APDE5AALDH1A1POLB
SCHEMBL193592 0.83 PDE1B (0.54) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL17502928 0.81 PDE1B (0.68) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL17502931 0.80 PDE1B (0.67) PDE1BPDE4APDE1APDE1CPDE2A
SCHEMBL17384716 0.80 PDE1B (0.66) PDE1BPDE4APDE2APDE4DPDE8A

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-12410175-B2 Compounds INTRA-CELLULAR THERAPIES, INC. (US) 2025-09-09 US disclosed
US-20220356187-A1 NOVEL COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2022-11-10 US disclosed
EP-4025202-A1 NOVEL COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2022-07-13 EP 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 (2 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-20220356187-A1 NOVEL COMPOUNDS DRD1, PDE4A, PDE4D PDE1B 15/4885PDE4A 2/4885PDE1A 17/4885
US-12410175-B2 Compounds PDE4A, PDE4B, DBH PDE1B 34/4885PDE4A 1/4885PDE1A 31/4885

“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.