SCHEMBL2321413

SCHEMBL2321413

Oc1c[nH]c2ncnc(Cl)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.61
NOTUM Q6P988 1/20 0.40
AURKA O14965 1/20 0.36
AKT1 P31749 4/20 0.35
STK3 Q13188 4/20 0.33
STK4 Q13043 3/20 0.33
DYRK1A Q13627 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LRRK2 Q5S007 4/20 0.33
JAK2 O60674 2/20 0.33
MAP3K7 O43318 2/20 0.33
TAB1 Q15750 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDC7 O00311 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL5019486 0.80 CHEK1 (0.61) CHEK1NOTUMAURKAAKT1STK3
SCHEMBL1598149 0.79 CHEK1 (0.66) CHEK1NOTUMAURKAAKT1TRPA1
SCHEMBL31329069 0.79 CHEK1 (0.66) CHEK1NOTUMAURKAAKT1TRPA1
SCHEMBL153752 0.78 CHEK1 (0.63) CHEK1NOTUMAURKAAKT1STK3
SCHEMBL2323682 0.78 CHEK1 (0.63) CHEK1NOTUMAURKAAKT1STK3
SCHEMBL154600 0.76 CHEK1 (0.61) CHEK1NOTUMAURKAAKT1DYRK1A
SCHEMBL61206 0.76 CHEK1 (1.00) CHEK1NOTUMAURKAAKT1STK3
SCHEMBL357993 0.76 CHEK1 (0.61) CHEK1NOTUMAURKAAKT1TRPA1
SCHEMBL3236479 0.76 CHEK1 (0.56) CHEK1NOTUMAURKASTK3STK4
SCHEMBL155227 0.74 CHEK1 (0.54) CHEK1NOTUMCYP3A4CYP2C19JAK2

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 75 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
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 EP disclosed
WO-2002096909-A1 OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL) -METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO 2,3-PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS PFIZER PRODUCTS INC. (US) 2002-12-05 WO disclosed
EP-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 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
WO-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 WO disclosed
EP-1087971-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CHEK1 370/4885NOTUM 3361/4885AURKA 633/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 CHEK1 112/4885NOTUM 3502/4885AURKA 163/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CHEK1 403/4885NOTUM 3508/4885AURKA 397/4885
US-20120252825-A1 BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL HMGCR, LDLR, PCSK9 CHEK1 2668/4885NOTUM 786/4885AURKA 1342/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT CHEK1 1321/4885NOTUM 2742/4885AURKA 1089/4885

“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.