Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319147

SCHEMBL2319147

SCHEMBL2319147

Oc1cc2c(Cl)ncnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KIT P10721 2/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 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
SCHEMBL15618278 0.79 AURKA (0.41) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL759988 0.78 AURKA (0.40) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL514788 0.76 TRPA1 (0.44) AURKAKDM4EKIT
SCHEMBL5005506 0.76 CHEK1 (0.43) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL3490382 0.76 AURKA (0.39) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL29538720 0.76 AURKA (0.39) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL3006533 0.74 DAO (0.45) KDM4EMAPK1DAOMEN1KMT2A
SCHEMBL23326848 0.72 AURKA (0.36) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL17394757 0.72 AURKA (0.36) AURKAPDE4APDE4BPDE4CPDE4D
SCHEMBL29861427 0.72 AURKA (0.36) AURKAPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9050342-B2 Beneficial effects of combination therapy on cholesterol PFIZER INC. (US) 2015-06-09 — — US disclosed
EP-1666481-B9 3-((3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidinyl)-3-oxo-propionitrile as protein kinase inhibitor PFIZER PROD INC (US) 2013-05-01 — — EP disclosed
US-20120252825-A1 BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL PFIZER INC. (US) 2012-10-04 — — US disclosed
EP-1666481-B1 3-((3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidinyl)-3-oxo-propionitrile as protein kinase inhibitor PFIZER PROD INC (US) 2012-09-19 — — EP disclosed
EP-1609781-B1 Optical resolution of (1-benzyl-4-methylpiperidin-3-yl)-methylamine PFIZER PROD INC (US) 2011-08-10 — — EP disclosed
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-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 — — 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
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 — — US disclosed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 — — EP disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 — — US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 — — US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 — — WO disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 — — US disclosed
EP-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — WO disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — 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 (6 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 AURKA 633/4885PDE4A 2060/4885PDE4B 2600/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 AURKA 163/4885PDE4A 2725/4885PDE4B 3051/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 AURKA 397/4885PDE4A 1617/4885PDE4B 2204/4885
US-20030073719-A1 Chiral salt resolution REN, SRR, RER1 AURKA 4334/4885PDE4A 1831/4885PDE4B 1144/4885
US-20120252825-A1 BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL HMGCR, LDLR, PCSK9 AURKA 1342/4885PDE4A 1242/4885PDE4B 1485/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT AURKA 1089/4885PDE4A 3915/4885PDE4B 4306/4885

“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.