SCHEMBL1613232

SCHEMBL1613232

CN(C)C=NC(=S)N1CC(C)(C)c2ccc(I)cc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1613231 1.00 NOTUM (0.33) NOTUMMAPK1RAB9ASMN1; SMN2
SCHEMBL1612802 0.76 NOTUM (0.39) NOTUM
SCHEMBL1042950 0.72 NOTUM (0.62) NOTUM
SCHEMBL2723741 0.65 SLC22A12 (0.38) NOTUM
SCHEMBL27635869 0.61 NOTUM (0.37) NOTUM
SCHEMBL27635870 0.61 SLC6A2 (0.32) NOTUM
SCHEMBL1613856 0.59 PIK3CA (0.39) RAB9ASMN1; SMN2
SCHEMBL12713555 0.58 PDE4B (0.35)
SCHEMBL17636177 0.57 NOTUM (0.63) NOTUM
SCHEMBL11988477 0.56 BIRC2 (0.42) NOTUM

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
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
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 NOTUM 2260/4885MAPK1 58/4885RAB9A 3110/4885

“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.