SCHEMBL1333736

SCHEMBL1333736

NC(=S)Nc1ccc(-c2cccc3c2CNC3=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.68
ROCK2 O75116 4/20 0.60
MAP4K4 O95819 3/20 0.60
PIM1 P11309 3/20 0.60
STK3 Q13188 3/20 0.60
ROCK1 Q13464 3/20 0.60
NTRK3 Q16288 3/20 0.60
TAOK1 Q7L7X3 3/20 0.60
HIPK4 Q8NE63 3/20 0.60
AURKB Q96GD4 3/20 0.60
MKNK2 Q9HBH9 3/20 0.60
MAP4K5 Q9Y4K4 3/20 0.60
LCK P06239 2/20 0.60
RET P07949 2/20 0.60
RPS6KB1 P23443 2/20 0.60
BLK P51451 2/20 0.60
GSK3B P49841 2/20 0.60
PRKAA1 Q13131 2/20 0.60
HIPK2 Q9H2X6 2/20 0.60
PLK4 O00444 2/20 0.60

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
SCHEMBL1333801 0.81 KDR (1.00) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1335342 0.79 KDR (1.00) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1335271 0.79 KDR (0.82) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1335607 0.79 KDR (0.82) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1334194 0.79 KDR (0.81) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1335474 0.79 KDR (1.00) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1333899 0.79 KDR (0.65) KDRROCK2MAP4K4PIM1STK3
SCHEMBL19608227 0.76 PIK3CD (0.64) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1333209 0.76 KDR (0.57) KDRROCK2MAP4K4PIM1STK3
SCHEMBL1335304 0.76 KDR (0.85) KDRROCK2MAP4K4PIM1STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US 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-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 KDR 527/4885ROCK2 264/4885MAP4K4 73/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 KDR 527/4885ROCK2 264/4885MAP4K4 73/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 KDR 527/4885ROCK2 264/4885MAP4K4 73/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 KDR 909/4885ROCK2 316/4885MAP4K4 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.