SCHEMBL1479136

SCHEMBL1479136

OC(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccnc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SIRT2 Q8IXJ6 13/20 0.35
NAPRT Q6XQN6 1/20 0.34
ENPP2 Q13822 1/20 0.32
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TBXA2R P21731 1/20 0.31
CCKBR P32239 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL17651947 0.81 SIRT2 (0.36) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL3069842 0.81 KCNN4 (0.34) CYP11B1CYP11B2SIRT2ENPP2NR1I2
SCHEMBL2204309 0.79 TSHR (0.43) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL2202154 0.78 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL12510466 0.78 SIRT2 (0.35) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL3789168 0.78 CYP11B1 (0.36) CYP11B1CYP11B2SIRT2
SCHEMBL845130 0.76 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2NR1I2
SCHEMBL12887208 0.76 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL6963184 0.74 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL6965789 0.74 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP disclosed
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
EP-2121613-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
WO-2008094992-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-07 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 (4 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP11B1 2475/4885CYP11B2 2759/4885SIRT2 2923/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP11B1 2475/4885CYP11B2 2759/4885SIRT2 2923/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP11B1 2475/4885CYP11B2 2759/4885SIRT2 2923/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP11B1 2475/4885CYP11B2 2759/4885SIRT2 2923/4885

“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.