Sugi Predict

Sugi Predict / Compounds / SCHEMBL1479176

SCHEMBL1479176

SCHEMBL1479176

O=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccnc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ SIRT2 Q8IXJ6 13/20 0.36
▸ ENPP2 Q13822 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ UGT1A1 P22309 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
SCHEMBL7641514 0.85 P2RX7 (0.40) CYP11B1CYP11B2SIRT2ENPP2MYC
SCHEMBL5682164 0.82 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2CYP1A2
SCHEMBL3747991 0.82 NSD2 (0.44) CYP11B1CYP11B2SIRT2KDM4EMEN1
SCHEMBL2203209 0.79 CDC25B (0.46) TDP1MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL12510626 0.78 SIRT2 (0.36) NAPRTCYP11B1CYP11B2SIRT2ENPP2
SCHEMBL642980 0.77 ALDH1A1 (0.40) SIRT2KDM4EALDH1A1LMNA
SCHEMBL3780260 0.77 NR2E1 (0.38) CYP11B1CYP11B2SIRT2ENPP2CYP1A2
SCHEMBL28146943 0.77 SIRT2 (0.36) NAPRTCYP11B1CYP11B2SIRT2ENPP2
SCHEMBL670904 0.76 CYP11B1 (0.43) NAPRTCYP11B1CYP11B2SIRT2ENPP2
SCHEMBL1479212 0.76 NAPRT (0.48) NAPRTCYP3A4CYP2C9

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 NAPRT 1808/4885SLC18A3 4821/4885CYP11B1 2475/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885SLC18A3 4821/4885CYP11B1 2475/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885SLC18A3 4821/4885CYP11B1 2475/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885SLC18A3 4821/4885CYP11B1 2475/4885

“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.