SCHEMBL11929344

SCHEMBL11929344

CN/C(=N/C#N)NCCSCc1ncn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ATP4A P20648 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ATP4B P51164 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC47A2 Q86VL8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC47A1 Q96FL8 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
SCHEMBL10281586 0.85 CYP3A4 (0.41) CYP3A4CYP2D6LMNATSHRHRH2
SCHEMBL13109108 0.84 CYP3A4 (0.41) CYP3A4CYP2D6LMNATSHRHRH2
SCHEMBL20369115 0.81 MEN1 (0.38) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL2873984 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2
SCHEMBL11555931 0.79 CYP3A4 (0.36) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL2873981 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL10855569 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL1163516 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL10855575 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2
Cimetidine SCHEMBL1093 0.79 SLC47A1 (0.69) CYP3A4CYP2D6LMNATSHRHRH2

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
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 — — US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 — — 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 (2 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 CYP3A4 69/4885CYP2D6 119/4885LMNA 2855/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 CYP3A4 69/4885CYP2D6 119/4885LMNA 2855/4885

“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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