SCHEMBL4537862

SCHEMBL4537862

COC(=O)c1ccnc(-n2cccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.56
KDM5B Q9UGL1 5/20 0.56
KDM4C Q9H3R0 2/20 0.56
JMJD6 Q6NYC1 1/20 0.50
KDM4E B2RXH2 6/20 0.49
KDM6B O15054 1/20 0.49
KDM5C P41229 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
PRMT5 O14744 1/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL15974174 0.82 LMNA (0.63) KDM5AKDM5BKDM4CKDM4EKDM6B
SCHEMBL2269172 0.81 JMJD6 (0.54) KDM5AKDM5BKDM4CJMJD6KDM4E
SCHEMBL63835 0.80 LMNA (0.69) KDM4EMAPTLMNAHPGDKMT2A
SCHEMBL6167291 0.78 TP53 (0.62) JMJD6MAPTLMNAHPGDKMT2A
SCHEMBL24554592 0.76 MAPT (0.49) KDM4EMAPTLMNAHPGDKMT2A
SCHEMBL62700 0.76 MAPT (0.72) KDM4EMAPTL3MBTL1
SCHEMBL4409309 0.75 PRMT5 (0.43) KDM4EMAPTLMNAPRMT5KMT2A
SCHEMBL1285806 0.75 MAPT (0.57) KDM4EMAPTLMNAHPGDKMT2A
SCHEMBL31218742 0.75 TSHR (0.49) KDM5AKDM5BKDM4CJMJD6KDM4E
SCHEMBL16869458 0.75 KDM4E (0.54) KDM4EMAPTLMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US claimed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP claimed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US claimed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KDM5A 2454/4885KDM5B 2521/4885KDM4C 3310/4885

“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.