SCHEMBL396432

SCHEMBL396432

O=C1Nc2cc(Br)ccc2C1=Cc1ccc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.71
PDPK1 O15530 5/20 0.71
KDR P35968 8/20 0.68
FLT3 P36888 6/20 0.68
RET P07949 5/20 0.68
CHEK1 O14757 4/20 0.68
JAK3 P52333 3/20 0.68
AURKB Q96GD4 3/20 0.68
TLK2 Q86UE8 3/20 0.68
FLT1 P17948 3/20 0.68
ALK Q9UM73 3/20 0.68
DAPK3 O43293 2/20 0.68
MAP4K4 O95819 2/20 0.68
NTRK1 P04629 2/20 0.68
LCK P06239 2/20 0.68
CSF1R P07333 2/20 0.68
FGFR1 P11362 2/20 0.68
LTK P29376 2/20 0.68
RPS6KA3 P51812 2/20 0.68
MAP2K1 Q02750 2/20 0.68

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
SCHEMBL396431 1.00 PDGFRB (0.71) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728408 0.89 PDPK1 (0.76) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728405 0.89 PDPK1 (0.76) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728610 0.83 PDPK1 (0.80) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728251 0.83 PDGFRB (1.00) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728248 0.83 PDGFRB (1.00) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728607 0.83 PDPK1 (0.80) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728403 0.83 PDGFRB (0.80) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728402 0.83 PDGFRB (0.80) PDGFRBPDPK1KDRFLT3RET
SCHEMBL5728570 0.83 PDPK1 (1.00) PDGFRBPDPK1KDRFLT3RET

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-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO disclosed
US-6797825-B2 1,3-DIHYDRO-2H-INDOL- 2-ONE DERIVATIVES ABBOTT LABORATORIES 2004-09-28 US disclosed
US-20030162785-A1 Protein kinase inhibitors ABBVIE INC. 2003-08-28 US disclosed
US-20030119839-A1 Protein kinase inhibitors ABBOTT LABORATORIES 2003-06-26 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 (3 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-20030162785-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 PDGFRB 766/4885PDPK1 90/4885KDR 1241/4885
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B PDGFRB 313/4885PDPK1 370/4885KDR 204/4885
US-20030119839-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K6 PDGFRB 766/4885PDPK1 90/4885KDR 1241/4885

“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.