SCHEMBL5436342

SCHEMBL5436342

CN1CCCC1COc1cc(NC(=O)c2cccnc2F)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
MCHR1 Q99705 2/20 0.48
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
UTS2R Q9UKP6 2/20 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
SCHEMBL6054210 0.93 UTS2R (0.52) KDRMCHR1CHRNB4CHRNA3CHRNB1
SCHEMBL5433911 0.93 UTS2R (0.52) KDRMCHR1CHRNB4CHRNA3CHRNB1
SCHEMBL4968107 0.88 KDR (0.41) KDRMCHR1UTS2R
SCHEMBL4968114 0.88 KDR (0.41) KDRMCHR1UTS2R
SCHEMBL4977053 0.83 RXFP1 (0.50) KDRMCHR1
Hydrochloric Acid SCHEMBL6225833 0.83 KDR (0.53) KDR
SCHEMBL4974491 0.81 KDR (0.45) KDRMCHR1UTS2R
SCHEMBL4767605 0.81 KDR (0.45) KDRMCHR1CHRNB4CHRNA3CHRNB1
SCHEMBL448120 0.81 ALOX5AP (0.40) MCHR1
SCHEMBL7059601 0.80 KDR (0.52) KDRMCHR1UTS2R

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 3 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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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 59/4885MCHR1 2658/4885CHRNB4 4745/4885

“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.