SCHEMBL4975909

SCHEMBL4975909

CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3N)ccc2C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.43
PTPN11 Q06124 1/20 0.43
PRKCI P41743 2/20 0.43
NR1H2 P55055 2/20 0.41
IKBKB O14920 2/20 0.39
POLB P06746 1/20 0.39
KDR P35968 2/20 0.39
WEE1 P30291 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL3818526 0.90 POLB (0.50) NR1H2POLBKDRRAB9AMEN1
SCHEMBL445073 0.90 NR1H2 (0.41) PTPN11NR1H2POLBKDRWEE1
SCHEMBL5626772 0.87 NR1H2 (0.41) PTPN11NR1H2WEE1NPC1RAB9A
SCHEMBL3815901 0.82 KDR (0.40) PTPN11NR1H2KDRWEE1RAB9A
SCHEMBL6105662 0.82 KDR (0.51) KDRCITMAP3K7RIPK2STK10
SCHEMBL3155809 0.80 KDR (0.44) NR1H2IKBKBKDRCITMAP3K7
SCHEMBL5628378 0.80 PTPN11 (0.38) PTPN11NR1H2KDRWEE1PIK3CA
SCHEMBL3959803 0.80 KDR (0.39) PTPN11NR1H2KDRWEE1RAB9A
SCHEMBL13867950 0.80 KDR (0.54) NR1H2KDRWEE1NPC1RAB9A
SCHEMBL4971088 0.80 KDR (0.45) NR1H2KDRWEE1CITMAP3K7

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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS VCP 2621/4885PTPN11 1517/4885PRKCI 3320/4885

“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.