SCHEMBL2999570

SCHEMBL2999570

CC(Br)C(=O)Nc1c(C(N)=O)cnn1C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.38
MAPK1 P28482 2/20 0.38
NR3C1 P04150 2/20 0.37
PDE4B Q07343 1/20 0.37
JAK1 P23458 9/20 0.36
JAK2 O60674 5/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 8/20 0.36
PDE1B Q01064 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL3000640 0.84 PDE9A (0.36) PDE9AMAPK1NR3C1PDE4BJAK1
SCHEMBL3000647 0.84 PDE9A (0.36) PDE9AMAPK1NR3C1PDE4BJAK1
SCHEMBL30420116 0.77 TRPV4 (0.45) PDE9APDE4BJAK1JAK2TYK2
SCHEMBL1717322 0.75 JAK1 (0.41) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL2990520 0.74 ALDH1A1 (0.38) PDE9APDE4BJAK1JAK2TYK2
SCHEMBL19434450 0.73 PDE4B (0.39) PDE9AMAPK1NR3C1PDE4BJAK1
SCHEMBL3004332 0.73 GPR119 (0.34) PDE9AMAPK1PDE4BJAK1JAK2
SCHEMBL3001064 0.73 PDE9A (0.35) PDE9APDE4BJAK1JAK2TYK2
SCHEMBL1741782 0.73 GPR119 (0.34) PDE9AMAPK1PDE4BJAK1JAK2
SCHEMBL1739212 0.73 PDE9A (0.35) PDE9APDE4BJAK1JAK2TYK2

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 15 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-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 1/4885MAPK1 686/4885NR3C1 1619/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PDE9A 1/4885MAPK1 686/4885NR3C1 1619/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A PDE9A 1/4885MAPK1 686/4885NR3C1 1619/4885

“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.