SCHEMBL3000640

SCHEMBL3000640

CC(=O)O[C@@H](C)C(=O)Nc1c(C(N)=O)cnn1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.36
JAK1 P23458 8/20 0.36
JAK3 P52333 7/20 0.36
JAK2 O60674 5/20 0.36
MAPK1 P28482 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NR3C1 P04150 2/20 0.35
PDE4B Q07343 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TYK2 P29597 3/20 0.34
PDE1B Q01064 1/20 0.34
MTOR P42345 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
SCHEMBL3000647 1.00 PDE9A (0.36) PDE9AJAK1JAK3JAK2MAPK1
SCHEMBL3001064 0.90 PDE9A (0.35) PDE9AJAK1JAK3JAK2PDE4B
SCHEMBL1741782 0.90 GPR119 (0.34) PDE9AJAK1JAK3JAK2MAPK1
SCHEMBL3004332 0.90 GPR119 (0.34) PDE9AJAK1JAK3JAK2MAPK1
SCHEMBL1739212 0.90 PDE9A (0.35) PDE9AJAK1JAK3JAK2PDE4B
SCHEMBL2999570 0.84 PDE9A (0.38) PDE9AJAK1JAK3JAK2MAPK1
SCHEMBL15625361 0.75 PDE9A (0.61) PDE9APDE4BPDE1B
SCHEMBL30420116 0.73 TRPV4 (0.45) PDE9AJAK1JAK3JAK2PDE4B
SCHEMBL19434450 0.72 PDE4B (0.39) PDE9AJAK1JAK3JAK2MAPK1
SCHEMBL1717322 0.72 JAK1 (0.41) JAK1JAK3JAK2PDE4BTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (3 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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A PDE9A 1/4885JAK1 1249/4885JAK3 1813/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PDE9A 1/4885JAK1 1249/4885JAK3 1813/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A PDE9A 1/4885JAK1 1249/4885JAK3 1813/4885

“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.