SCHEMBL1613412

SCHEMBL1613412

CC(=O)Nc1cc(Br)cc2c1CCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ NUDT1 P36639 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL21903966 0.79 GPR35 (0.38) ALDH1A1NUDT1GSK3BHTTDYRK1A
SCHEMBL31492103 0.79 GPR35 (0.38) ALDH1A1NUDT1GSK3BHTTDYRK1A
SCHEMBL9471229 0.76 ALDH1A1 (0.37) ALDH1A1GSK3BHTTCCNB2CDK1
SCHEMBL31488066 0.70 RXFP1 (0.46) ALDH1A1GSK3BCCNB2CDK1CCNB1
SCHEMBL26656341 0.70 HTR1D (0.38) ALDH1A1NUDT1MAPT
SCHEMBL14234585 0.70 DRD2 (0.37) ALDH1A1MAPT
SCHEMBL31443670 0.70 DRD2 (0.37) ALDH1A1MAPT
SCHEMBL1613135 0.69 HTR2A (0.39) POLB
SCHEMBL31607338 0.68 ALDH1A1 (0.39) ALDH1A1HTTCA1CA2CA9
SCHEMBL24304266 0.68 NOTUM (0.34) ALDH1A1MAPT

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 ALDH1A1 1373/4885NUDT1 3552/4885GSK3B 317/4885

“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.

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