SCHEMBL5799150

SCHEMBL5799150

NC(=O)c1ccnc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.44
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM6B O15054 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
PREP P48147 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL3577315 0.86 KDM4E (0.53) KDM4ETDP1SIRT3L3MBTL1HTT
SCHEMBL8415023 0.84 KDM4C (0.52) KDM4ETDP1L3MBTL1KDM4AKDM4C
SCHEMBL29397668 0.78 KDM4E (0.57) KDM4EL3MBTL1HTTALDH1A1KMT2A
SCHEMBL29381262 0.78 KDM4E (0.57) KDM4EL3MBTL1HTTKMT2AMAPT
SCHEMBL607663 0.78 KDM4E (0.57) KDM4EL3MBTL1HTTKMT2AMAPT
Trifluoroacetic Acid SCHEMBL3567635 0.77 L3MBTL1 (0.54) KDM4ETDP1SIRT3L3MBTL1HTT
Hydrochloric Acid SCHEMBL4381713 0.76 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1330970 0.74 TDP1 (0.67) KDM4ETDP1SIRT3L3MBTL1HTT
SCHEMBL1687197 0.74 TDP1 (0.67) KDM4ETDP1SIRT3L3MBTL1HTT
SCHEMBL30609368 0.74 RPS6KB1 (0.44) KDM4ETDP1SIRT3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
CN-110256427-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-02-22 CN disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 KDM4E 2664/4885TDP1 4229/4885SIRT3 2007/4885

“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.