SCHEMBL4976834

SCHEMBL4976834

CC1(C)CCCNc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ccc34)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.57
RET P07949 2/20 0.57
MAP3K20 Q9NYL2 2/20 0.57
RIPK3 Q9Y572 2/20 0.57
FLT3 P36888 2/20 0.57
CIT O14578 1/20 0.57
MAP3K7 O43318 1/20 0.57
RIPK2 O43353 1/20 0.57
STK10 O94804 1/20 0.57
MAP4K4 O95819 1/20 0.57
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
RAF1 P04049 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
CSF1R P07333 1/20 0.57
YES1 P07947 1/20 0.57
LYN P07948 1/20 0.57
HCK P08631 1/20 0.57
PDGFRB P09619 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
SCHEMBL4973863 0.97 KDR (0.59) KDRRETMAP3K20RIPK3FLT3
SCHEMBL5424280 0.92 KDR (0.57) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4974477 0.91 KDR (0.69) KDRRETMAP3K20RIPK3FLT3
SCHEMBL5009499 0.91 KDR (0.68) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4976511 0.88 KDR (0.55) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4973327 0.87 KDR (0.61) KDRRETMAP3K20RIPK3FLT3
SCHEMBL11986954 0.86 KDR (0.55) KDRRETMAP3K20RIPK3FLT3
SCHEMBL5421728 0.86 KDR (0.57) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4975633 0.85 JAK1 (0.45) KDRRETMAP3K20RIPK3FLT3
SCHEMBL4968522 0.85 KDR (0.58) KDRRETMAP3K20RIPK3FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP claimed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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 59/4885RET 1817/4885MAP3K20 2420/4885

“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.