SCHEMBL1740340

SCHEMBL1740340

Cc1ccnc(C2CN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PDE4B Q07343 1/20 0.39

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
SCHEMBL16272071 0.87 GPR119 (0.53) GPR119KDM4E
SCHEMBL15808430 0.86 CCNT1 (0.44) GPR119KDM4EUSP30
SCHEMBL20743073 0.86 POLB (0.44) GPR119KDM4EUSP30POLB
SCHEMBL31654267 0.86 CCNT1 (0.44) GPR119KDM4EUSP30
SCHEMBL3788239 0.84 MAP3K12 (0.47) GPR119KDM4E
SCHEMBL13806857 0.82 PDE4A (0.39) GPR119CCNKCDK12PDE4B
SCHEMBL2998444 0.81 GPR119 (0.54) GPR119KDM4EPDE10AUSP30POLB
SCHEMBL31228209 0.81 GPR119 (0.54) GPR119KDM4EPDE10AUSP30POLB
SCHEMBL14851551 0.80 KDM4E (0.46) GPR119KDM4E
SCHEMBL25729729 0.80 PIK3CD (0.42) GPR119KDM4EPDE4B

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 17 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
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
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 — — EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 — — 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 GPR119 95/4885KDM4E 1344/4885CCNK 1923/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A GPR119 95/4885KDM4E 1344/4885CCNK 1923/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A GPR119 95/4885KDM4E 1344/4885CCNK 1923/4885

“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.

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