SCHEMBL1612592

SCHEMBL1612592

CC(=O)Nc1cc(Br)cc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.52
HTR6 P50406 1/20 0.49
DYRK1A Q13627 1/20 0.44
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
DHPS P49366 2/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CLK1 P49759 1/20 0.38
ESR1 P03372 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL18069350 0.81 ROCK2 (0.49) FBP1ROCK2ALDH1A1DHPSPIK3C3
SCHEMBL13575033 0.81 ROCK2 (0.43) FBP1ROCK2ALDH1A1DHPSPIK3C3
SCHEMBL1635027 0.80 FBP1 (0.47) FBP1HTR6RXFP1DHPSCA1
SCHEMBL7539607 0.78 DYRK1A (0.55) DYRK1AALDH1A1HTTRXFP1CLK1
SCHEMBL31492077 0.78 XDH (0.46) DYRK1AROCK2DHPSPIK3C3MAOA
SCHEMBL21903939 0.78 XDH (0.46) DYRK1AROCK2DHPSPIK3C3MAOA
SCHEMBL13046884 0.76 MAPK1 (0.61) HTR6ALDH1A1DHPSMAPTPIK3CA
SCHEMBL1634443 0.75 HTR6 (0.63) FBP1HTR6ALDH1A1ESR1
SCHEMBL19100640 0.75 MAOA (0.46) DYRK1AALDH1A1HTTPIK3C3MAOA
SCHEMBL18661406 0.75 ROCK2 (0.46) DYRK1AROCK2ALDH1A1HTTRXFP1

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 FBP1 1641/4885HTR6 3936/4885DYRK1A 1111/4885

“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.