SCHEMBL2298040

SCHEMBL2298040

OC1(c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.60
AKT2 P31751 12/20 0.59
GSK3B P49841 3/20 0.59
KIT P10721 2/20 0.59
HTR2C P28335 1/20 0.58
AKT1 P31749 3/20 0.57
ROCK2 O75116 2/20 0.57
AKT3 Q9Y243 2/20 0.57
LCK P06239 1/20 0.54
KCNH2 Q12809 1/20 0.53

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
SCHEMBL7851067 0.94 HTR2C (0.62) JAK3AKT2GSK3BKITHTR2C
SCHEMBL3952915 0.82 JAK3 (0.67) JAK3AKT2GSK3BKITHTR2C
SCHEMBL27776221 0.79 AKT2 (0.49) JAK3AKT2GSK3BKITHTR2C
SCHEMBL2019605 0.79 JAK3 (0.70) JAK3AKT2GSK3BKITHTR2C
SCHEMBL1789204 0.79 RPS6KB1 (0.72) JAK3AKT2GSK3BKITHTR2C
SCHEMBL2780797 0.79 AKT2 (0.67) JAK3AKT2AKT1ROCK2AKT3
SCHEMBL3953923 0.77 JAK3 (0.61) JAK3AKT2GSK3BHTR2CLCK
SCHEMBL2781969 0.77 AKT2 (0.66) JAK3AKT2GSK3B
SCHEMBL7858238 0.77 HTR2C (0.67) JAK3AKT2GSK3BKITHTR2C
SCHEMBL10156821 0.77 JAK3 (0.59) JAK3AKT2GSK3BKITHTR2C

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
CN-105106199-A Methods of using MEK inhibitors EXELIXIS INC 2015-12-02 CN disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 CN disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
CN-1125070-C Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2003-10-22 CN disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
CN-1305479-A Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2001-07-25 CN 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-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 JAK3 2/4885AKT2 731/4885GSK3B 666/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS JAK3 81/4885AKT2 130/4885GSK3B 546/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 JAK3 173/4885AKT2 7/4885GSK3B 42/4885

“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.