SCHEMBL488537

SCHEMBL488537

Cc1ccc(F)c(COc2cncc(-c3ccccc3)c2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB1 P11230 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
AKT1 P31749 11/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GRM5 P41594 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
ROCK2 O75116 2/20 0.36
PIM1 P11309 2/20 0.36
RPS6KB1 P23443 2/20 0.36
AKT2 P31751 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
RPS6KA3 P51812 2/20 0.36
LIMK1 P53667 2/20 0.36
PRKCD Q05655 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
SCHEMBL488809 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL488409 0.78 MET (0.48) JAK2MAP4K4
SCHEMBL30423385 0.72 CYP11B1 (0.59) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL13577209 0.72 CACNA1C (0.42) GRM5
SCHEMBL12251046 0.68 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL8565730 0.68 KCNH2 (0.44) GRM5
SCHEMBL22038677 0.68 CHRNB1 (0.41) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL27630236 0.67 CA12 (0.31)
SCHEMBL487559 0.67 MET (0.53) JAK2MAP4K4
SCHEMBL487622 0.67 MET (0.52) JAK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 CHRNB2 4036/4885CHRNA4 4469/4885CHRNB1 3733/4885

“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.