SCHEMBL2612347

SCHEMBL2612347

CC/N=c1/c2c(Nc3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc2n(CC(C)C)c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.52
PDE1A P54750 5/20 0.52
PDE1C Q14123 5/20 0.52
USP1 O94782 7/20 0.42
PDE2A O00408 4/20 0.37
PDE4D Q08499 1/20 0.37
DPP4 P27487 1/20 0.35
CHRM1 P11229 2/20 0.34
BUB1 O43683 1/20 0.33

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
SCHEMBL3010414 0.89 PDE1B (0.65) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL2612342 0.88 PDE1B (0.55) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL3011746 0.77 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL10201414 0.77 PDE1B (0.65) PDE1BPDE1APDE1CUSP1PDE2A
SCHEMBL2121444 0.77 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2121446 0.77 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2612339 0.77 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8045647 0.76 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2612356 0.76 PDE1B (0.56) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2454858 0.75 PDE1A (0.48) PDE1BPDE1APDE1CUSP1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 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-20120094966-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 PDE1B 4847/4885PDE1A 4868/4885PDE1C 4824/4885

“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.