SCHEMBL9608344

SCHEMBL9608344

Cn1c(=O)c2c(Nc3ccc(O)cc3)n(Cc3ccc(C(C)(F)F)cc3)cc2n(CC(C)(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE1B Q01064 2/20 0.34
PDE2A O00408 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 2/20 0.33
KMT2A Q03164 1/20 0.33
PARG Q86W56 1/20 0.33
GRM2 Q14416 4/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 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
SCHEMBL13334360 0.95 LMNA (0.38) MAPTPOLBLMNAL3MBTL1PDE1B
SCHEMBL9608310 0.90 PDE1B (0.41) MAPTPOLBLMNAL3MBTL1PDE1B
SCHEMBL13334342 0.83 PDE1A (0.41) LMNAL3MBTL1PDE1BPDE2AKMT2A
SCHEMBL9608307 0.80 PDE1B (0.48) MAPTPOLBPDE1BPDE2ATP53
SCHEMBL2612343 0.75 PDE1B (0.42) PDE1BPDE2APDE4DGRM2
SCHEMBL2455942 0.74 PDE1B (0.48) MAPTPOLBPDE1BPDE2ATP53
SCHEMBL9608316 0.74 PDE1B (0.58) MAPTPOLBPDE1BPDE2ATP53
SCHEMBL9608345 0.73 PDE1B (0.35) MAPTLMNAL3MBTL1PDE1BPDE2A
SCHEMBL16369451 0.72 PDE1B (0.41) MAPTPOLBPDE1BPDE2ATP53
SCHEMBL13334372 0.68 PDE1B (0.46) MAPTPOLBLMNAPDE1BPDE2A

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
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 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 (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-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 MAPT 888/4885POLB 570/4885LMNA 4610/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 MAPT 966/4885POLB 604/4885LMNA 4593/4885

“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.