Sugi Predict

Sugi Predict / Compounds / SCHEMBL4829341

SCHEMBL4829341

SCHEMBL4829341

CC(C)OC(=O)/C(=N\N)c1cccnc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 2/20 0.46
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 3/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ GRM1 Q13255 2/20 0.36
▸ POLB P06746 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HTT P42858 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RECQL P46063 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ TP53 P04637 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
SCHEMBL5264436 0.81 NAPRT (0.46) NAPRTMAPTLMNAP2RX7GRM5
SCHEMBL4824489 0.81 NAPRT (0.46) NAPRTMAPTLMNAKMT2AP2RX7
SCHEMBL5264437 0.81 NAPRT (0.46) NAPRTMAPTLMNAP2RX7GRM5
SCHEMBL8292091 0.79 NAPRT (0.50) NAPRTMAPTLMNAKMT2AGRM5
SCHEMBL5262726 0.78 NAPRT (0.61) NAPRTMAPTLMNAP2RX7NPSR1
SCHEMBL9944381 0.78 NAPRT (0.56) NAPRTMAPTLMNAKMT2APOLB
SCHEMBL5262723 0.78 NAPRT (0.61) NAPRTMAPTLMNAP2RX7NPSR1
SCHEMBL4829345 0.71 NAPRT (0.51) NAPRTMAPTLMNAKMT2AP2RX7
SCHEMBL1811012 0.70 NAPRT (0.68) NAPRTMAPTLMNAKMT2AP2RX7
SCHEMBL4406065 0.70 NAPRT (0.58) NAPRTMAPTLMNAKMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 — — US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 — — 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 (1 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 NAPRT 2054/4885MAPT 1133/4885LMNA 1929/4885

“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.