SCHEMBL4966919

SCHEMBL4966919

CN1CCC[C@H]1COc1cc(NC(=O)c2cccnc2F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNB1 P11230 4/20 0.47
CHRNB2 P17787 4/20 0.47
CHRNB3 Q05901 4/20 0.47
CHRM3 P20309 1/20 0.46
CHRNA4 P43681 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNA7 P36544 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL447703 1.00 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447621 0.91 CHRNB1 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL450365 0.91 CHRNB1 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL7020478 0.90 KDR (0.54) CHRM3MEN1KMT2A
SCHEMBL6222577 0.88 MEN1 (0.41) MEN1KMT2A
SCHEMBL447629 0.88 MEN1 (0.41) MEN1KMT2A
SCHEMBL1115273 0.87 KDR (0.57) CHRM3MEN1KMT2A
SCHEMBL6103548 0.87 KDR (0.57) CHRM3MEN1KMT2A
SCHEMBL201280 0.87 KDR (0.57) CHRM3MEN1KMT2A
SCHEMBL448621 0.85 KDR (0.66)

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 CHRNB4 4745/4885CHRNA3 4728/4885CHRNB1 4083/4885

“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.