SCHEMBL3687009

SCHEMBL3687009

CNC(=O)N1CCC(C)C(NC)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE4B Q07343 1/20 0.35
JAK3 P52333 3/20 0.35
SLC8A1 P32418 1/20 0.32
LMNA P02545 2/20 0.31
GRM5 P41594 1/20 0.31
GRM7 Q14831 1/20 0.31
GRM3 Q14832 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL27616265 0.84 JAK3 (0.36) POLBJAK3SLC8A1LMNAALDH1A1
SCHEMBL6079582 0.81 TSHR (0.40) PDE4BJAK3SLC8A1
SCHEMBL27562892 0.78 JAK3 (0.36) POLBJAK3SLC8A1LMNAALDH1A1
SCHEMBL13446383 0.77 POLB (0.54) POLBPDE4BLMNAALDH1A1NPC1
SCHEMBL17327601 0.77 POLB (0.54) POLBPDE4BLMNAGRM5GRM7
SCHEMBL20331842 0.77 POLB (0.54) POLBPDE4BLMNAALDH1A1NPC1
SCHEMBL12522309 0.77 POLB (0.54) POLBPDE4BLMNAGRM5GRM7
SCHEMBL12521642 0.77 POLB (0.54) POLBPDE4BLMNAGRM5GRM7
SCHEMBL15765934 0.77 EPHX1 (0.48) ALDH1A1NPC1MEN1KMT2A
SCHEMBL17718762 0.77 JAK3 (0.35) POLBJAK3LMNAALDH1A1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842699-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2010-11-30 US disclosed
US-RE41783-E1 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile; inhibitors of the enzyme protein kinases such as Janus Kinase 3 PFIZER INC. (US) 2010-09-28 US disclosed
US-20100035903-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS BLUMENKOPF TODD A 2010-02-11 US disclosed
US-7601727-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER, INC. (US) 2009-10-13 US disclosed
WO-2008029237-A2 COMBINATION THERAPIES FOR RHEUMATOID ARTHRITIS PFIZER PRODUCTS INC. (US) 2008-03-13 WO disclosed
US-20070292430-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS BLUMENKOPF TODD A 2007-12-20 US disclosed
EP-1382339-B1 Compositions containing pyrrolo ¬2,3-d pyrimidine derivatives PFIZER PROD INC (US) 2007-12-05 EP disclosed
US-7265221-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER, INC. (US) 2007-09-04 US disclosed
US-7250420-B2 Method of treatment of transplant rejection PFIZER INC. (US) 2007-07-31 US disclosed
US-20060241131-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2006-10-26 US disclosed
US-20050159433-A1 Method treatment of transplant rejection PFIZER INC 2005-07-21 US disclosed
US-20050113395-A1 Method of treatment of atherosclerosis PFIZER INC 2005-05-26 US disclosed
US-20040116449-A1 Method of treatment of transplant rejection PFIZER INC 2004-06-17 US disclosed
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2004-03-18 US disclosed
EP-1382339-A1 Compositions containing pyrrolo [2,3-d] pyrimidine derivatives Pfizer Products Inc. (US) 2004-01-21 EP disclosed
EP-1235830-B1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS PROTEIN KINASES INHIBITORS PFIZER PROD INC (US) 2004-01-02 EP disclosed
US-6627754-B2 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile PFIZER INC. 2003-09-30 US disclosed
EP-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 US disclosed
WO-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 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 (7 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-20100035903-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, PDXK POLB 325/4885PDE4B 2600/4885JAK3 1/4885
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds JAK1, JAK3, TPMT POLB 254/4885PDE4B 3241/4885JAK3 2/4885
US-20070292430-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS JAK3, JAK1, PDXK POLB 325/4885PDE4B 2600/4885JAK3 1/4885
US-20050159433-A1 Method treatment of transplant rejection ARG1, TST, CD74 POLB 4614/4885PDE4B 2053/4885JAK3 1530/4885
US-20060241131-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, PDXK POLB 325/4885PDE4B 2600/4885JAK3 1/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT POLB 2781/4885PDE4B 4306/4885JAK3 2/4885
US-20050113395-A1 Method of treatment of atherosclerosis LDLR, MSR1, NR1H2 POLB 1685/4885PDE4B 1184/4885JAK3 2714/4885

“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.