Sugi Predict

Sugi Predict / Compounds / SCHEMBL4827692

SCHEMBL4827692

SCHEMBL4827692

O=C(c1cnc2[nH]ccc2c1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.57
▸ MAP4K4 O95819 2/20 0.57
▸ ROS1 P08922 2/20 0.57
▸ MARK3 P27448 2/20 0.57
▸ FLT4 P35916 2/20 0.57
▸ KDR P35968 2/20 0.57
▸ CLK2 P49760 2/20 0.57
▸ CSNK1G2 P78368 2/20 0.57
▸ ROCK1 Q13464 2/20 0.57
▸ MINK1 Q8N4C8 2/20 0.57
▸ AURKB Q96GD4 2/20 0.57
▸ PRKD2 Q9BZL6 2/20 0.57
▸ CLK4 Q9HAZ1 2/20 0.57
▸ MAP4K5 Q9Y4K4 2/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ MAP4K2 Q12851 1/20 0.57
▸ NTRK3 Q16288 1/20 0.57

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
SCHEMBL23675226 0.99 PLK4 (0.56) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL22978570 0.88 PLK4 (0.54) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL23675147 0.87 PLK4 (0.56) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL857503 0.85 RIPK1 (0.64) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL23675176 0.85 GPR183 (0.56) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL29564975 0.84 ALDH1A1 (0.55) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL29141088 0.84 ALDH1A1 (0.55) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL29141091 0.84 ALDH1A1 (0.55) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL24463767 0.83 VNN1 (0.51) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL24942638 0.82 GRM5 (0.55) PLK4MAP4K4ROS1MARK3FLT4

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 7 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
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 PLK4 244/4885MAP4K4 45/4885ROS1 665/4885

“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.