SCHEMBL4975443

SCHEMBL4975443

O=C(Nc1ccc(Cl)cc1)c1cc(F)cnc1NCc1ccnc2[nH]ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PDPK1 O15530 3/20 0.39
AURKA O14965 1/20 0.38
MAP4K4 O95819 2/20 0.38
CLK2 P49760 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
RPS6KB1 P23443 1/20 0.38
ROCK1 Q13464 1/20 0.38
PRKG1 Q13976 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
SGK2 Q9HBY8 1/20 0.38
STK17A Q9UEE5 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
FLT3 P36888 1/20 0.37
NR3C1 P04150 2/20 0.36

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
SCHEMBL11914484 0.92 KDR (0.39) KDRHSP90AA1HSP90AB1PDPK1AURKA
SCHEMBL4969404 0.90 PDPK1 (0.48) KDRPDPK1AURKAFLT3NR3C1
SCHEMBL4973408 0.89 FLT3 (0.48) KDRPDPK1AURKAFLT3
SCHEMBL4973415 0.88 PDPK1 (0.41) KDRPDPK1AURKAFLT3
SCHEMBL4975229 0.87 KDR (0.51) KDRAURKAFLT3
SCHEMBL4970777 0.87 KDR (0.44) KDRPDPK1AURKAFLT3
SCHEMBL4977706 0.87 KDR (0.49) KDRPDPK1
SCHEMBL4967585 0.87 KDR (0.49) KDRFLT3
SCHEMBL4971605 0.87 PDPK1 (0.40) KDRPDPK1AURKAFLT3NR3C1
SCHEMBL4975018 0.85 AURKA (0.43) KDRPDPK1AURKADYRK1AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP claimed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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
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 KDR 59/4885HSP90AA1 1855/4885HSP90AB1 1101/4885

“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.