SCHEMBL2635072

SCHEMBL2635072

Cc1ccc(COC(=O)C2CN(c3ccnc(Cl)n3)CCS2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.39
▸ GRIN2B Q13224 3/20 0.37
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL12184997 0.83 ALK (0.52) ALKGPBAR1IGF1R
SCHEMBL15022109 0.78 TRPV1 (0.44) GPBAR1TRPV1
SCHEMBL2635130 0.69 TRPV1 (0.36) ALKTRPV1
SCHEMBL29438234 0.68 ALDH1A1 (0.54) GPBAR1
SCHEMBL2635948 0.68 ALDH1A1 (0.54) GPBAR1
SCHEMBL12185358 0.68 ALDH1A1 (0.54) GPBAR1
SCHEMBL12185389 0.68 ALK (0.75) ALKGPBAR1IGF1R
SCHEMBL2635263 0.68 ALK (0.75) ALKGPBAR1IGF1R
SCHEMBL12184891 0.68 ALK (0.75) ALKGPBAR1IGF1R
SCHEMBL6869759 0.67 MAPT (0.57) —

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-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 — — EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 — — US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 — — US disclosed
EP-2600874-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-06-12 — — EP disclosed
WO-2011143033-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2011-11-17 — — 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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS ALK 53/4885GRIN2B 3259/4885GPBAR1 3874/4885

“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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