SCHEMBL10201414

SCHEMBL10201414

Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc2n(CC2CC2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.65
PDE2A O00408 2/20 0.62
PDE4D Q08499 1/20 0.62
PDE1A P54750 1/20 0.54
PDE1C Q14123 1/20 0.54
USP1 O94782 5/20 0.41
DPP4 P27487 1/20 0.40
CHRM1 P11229 2/20 0.38
PDE4A P27815 3/20 0.37
PDE8A O60658 1/20 0.37
PDE5A O76074 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
PDE7B Q9NP56 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL8051665 0.88 PDE1B (0.65) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3010414 0.88 PDE1B (0.65) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL2612342 0.80 PDE1B (0.55) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL2612347 0.77 PDE1B (0.52) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL2120812 0.75 PDE1B (0.50) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3011746 0.75 PDE1B (0.64) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3087675 0.75 PDE1B (0.67) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3084226 0.74 PDE1B (0.66) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL18349195 0.74 PDE1B (0.50) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL8045647 0.74 PDE1B (0.64) PDE1BPDE2APDE4DPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 US disclosed
US-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 US disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 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 (5 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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE1B 27/4885PDE2A 4/4885PDE4D 5/4885
US-20100273753-A1 ORGANIC COMPOUNDS OPRD1, PGR, HTR1D PDE1B 147/4885PDE2A 104/4885PDE4D 106/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 PDE1B 115/4885PDE2A 83/4885PDE4D 89/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE1B 27/4885PDE2A 4/4885PDE4D 5/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE1B 27/4885PDE2A 4/4885PDE4D 5/4885

“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.