SCHEMBL17545006

SCHEMBL17545006

CCOC(=O)c1cc(CO)nc(CNCc2nc(CO)cn2Cc2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GRM5 P41594 1/20 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
SCHEMBL17544716 0.90 GRM2 (0.37) MAPTGRM2P2RY12KMT2AMEN1
SCHEMBL17544589 0.86 PPARA (0.38) MAPTCASP3SENP7KDM4E
SCHEMBL17670328 0.81 ALDH1A1 (0.38) MAPTGRM2KMT2AMEN1ALDH1A1
SCHEMBL17544815 0.79 HSP90AA1 (0.39) MAPTGRM2KMT2AMEN1POLB
SCHEMBL17544765 0.79 TP53 (0.40) MAPTGRM2ALDH1A1POLBSMN1; SMN2
SCHEMBL17544636 0.79 TP53 (0.40) MAPTGRM2ALDH1A1POLBSMN1; SMN2
SCHEMBL17683843 0.78 TP53 (0.40) MAPTGRM2KMT2APOLBSMN1; SMN2
SCHEMBL17670426 0.77 ENPP2 (0.36) MAPTCASP3SENP7POLBKDM4E
SCHEMBL17549942 0.76 TP53 (0.39) MAPTGRM2KMT2APOLBSMN1; SMN2
SCHEMBL17683839 0.75 MAPT (0.36) MAPTGRM2P2RY12KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 MAPT 4137/4885GRM2 1490/4885P2RY12 4859/4885

“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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