SCHEMBL17144500

SCHEMBL17144500

O=C(O)c1ccnc(CNCc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.61
▸ KDM4A O75164 2/20 0.61
▸ KDM5C P41229 2/20 0.61
▸ KDM4B O94953 1/20 0.61
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.48
▸ VNN1 O95497 1/20 0.48
▸ KDM6B O15054 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM2B Q8NHM5 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46

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
SCHEMBL993562 0.83 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1L3MBTL1VNN1
SCHEMBL20236126 0.80 CYP1A2 (0.66) CYP1A2CYP2D6ALDH1A1MAPK1USP2
SCHEMBL17145143 0.78 KDM5B (0.53) KDM5BKDM4AKDM5CKDM4BALDH1A1
SCHEMBL16925971 0.75 KDM5B (0.51) KDM5BKDM4AKDM5CKDM4BALDH1A1
SCHEMBL15637011 0.75 KDM5B (0.77) KDM5BKDM4AKDM5CKDM4BCYP1A2
SCHEMBL2861457 0.74 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1MAPK1NPSR1
SCHEMBL17144440 0.74 KDM5B (0.49) KDM5BKDM4AKDM5CKDM4BKDM4C
SCHEMBL8805346 0.74 CYP1A2 (0.70) CYP1A2CYP2D6ALDH1A1L3MBTL1MAPK1
SCHEMBL23120658 0.73 KDM5B (0.52) KDM5BKDM4AKDM5CKDM4BALDH1A1
SCHEMBL19779254 0.73 VNN1 (0.77) VNN1HDAC1HDAC3HDAC2HDAC6

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP claimed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — WO claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A KDM5B 33/4885KDM4A 20/4885KDM5C 16/4885

“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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