SCHEMBL4968685

SCHEMBL4968685

O=C(Nc1cc(CCCN2CCOCC2)cc(C(F)(F)F)c1)c1cccnc1NCc1ccnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
ABCB1 P08183 1/20 0.42
TRPV4 Q9HBA0 9/20 0.42
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4973371 0.93 KDR (0.49) KDRTRPV4RXFP1MEN1ALDH1A1
SCHEMBL14546700 0.89 TRPV4 (0.43) SLC6A2HTR2AOPRK1HTR2BSLC6A3
SCHEMBL445762 0.85 KDR (0.68) KDRSLC6A2HTR2AOPRK1HTR2B
SCHEMBL11914469 0.83 KDR (0.48) KDRABCB1RXFP1MEN1ALDH1A1
SCHEMBL4973823 0.82 KDR (0.49) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL4970135 0.80 TRPV4 (0.51) SLC6A2HTR2AOPRK1HTR2BSLC6A3
SCHEMBL448398 0.79 ALDH1A1 (0.52) SLC6A2HTR2AOPRK1HTR2BSLC6A3
SCHEMBL4972995 0.78 KDR (0.64) KDRRXFP1MEN1ALDH1A1LMNA
SCHEMBL446249 0.78 KDR (0.70) KDRABCB1RXFP1MEN1ALDH1A1
SCHEMBL5425923 0.78 KDR (0.47) KDRRXFP1MEN1ALDH1A1LMNA

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-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

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 59/4885SLC6A2 993/4885HTR2A 3925/4885

“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.