SCHEMBL10131077

SCHEMBL10131077

CN1CCC(C(=O)Nc2cncc(I)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.52
GSK3B P49841 12/20 0.52
HTR1F P30939 1/20 0.49
PKM P14618 1/20 0.46
WNT1 P04628 2/20 0.46
DYRK1B Q9Y463 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2268552 0.84 DYRK1A (0.52) DYRK1AGSK3BHTR1FPKMWNT1
SCHEMBL13363351 0.82 ULK1 (0.46) DYRK1AGSK3BDYRK1BMAPT
SCHEMBL17339955 0.77 PKM (0.60) DYRK1AGSK3BPKMMKNK1KDM4E
SCHEMBL1553445 0.76 ROCK2 (0.62) PKMKDM4EMAPT
SCHEMBL22572992 0.74 DYRK1A (0.55) DYRK1AGSK3BPKMWNT1DYRK1B
SCHEMBL26944401 0.72 ALDH1A1 (0.54) DYRK1AGSK3BPKMMKNK1KDM4E
SCHEMBL20041320 0.72 DYRK1A (0.53) DYRK1AGSK3BWNT1DYRK1BMAPT
SCHEMBL13592382 0.72 MAPT (0.68) PKMMKNK1MAPT
SCHEMBL12813812 0.71 DYRK1A (0.50) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL4764375 0.71 ROCK2 (0.52) DYRK1AGSK3BWNT1MKNK1ABL1

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 DYRK1A 4205/4885GSK3B 403/4885HTR1F 4429/4885

“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.