SCHEMBL15022109

SCHEMBL15022109

O=C(O)C1CN(c2ccnc(Cl)n2)CCS1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.44
▸ SORD Q00796 4/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ OGA O60502 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33

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
SCHEMBL2635072 0.78 ALK (0.39) TRPV1GPBAR1
SCHEMBL12184997 0.78 ALK (0.52) GPBAR1
SCHEMBL12184995 0.75 KDM4E (0.50) TRPV1GPBAR1EIF2AK4
SCHEMBL15022110 0.75 KDM4E (0.50) TRPV1GPBAR1EIF2AK4
SCHEMBL15022525 0.74 TRPV1 (0.46) TRPV1SORDEIF2AK4
SCHEMBL14810701 0.74 LMNA (0.57) TRPV1SORD
SCHEMBL11823109 0.73 TRPV1 (0.48) TRPV1SORDOGA
SCHEMBL23235686 0.72 GRM1 (0.47) TRPV1SORD
SCHEMBL29241190 0.72 GRM1 (0.47) TRPV1SORD
SCHEMBL16620510 0.72 CCNC (0.53) TRPV1

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 2 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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 — — US 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 TRPV1 4669/4885SORD 1883/4885GPBAR1 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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