SCHEMBL4940332

SCHEMBL4940332

CN(C)C(=O)c1cnn2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.56
SMPD3 Q9NY59 2/20 0.55
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
STING1 Q86WV6 1/20 0.50
HSD11B1 P28845 1/20 0.50
NLRP3 Q96P20 1/20 0.48
AXL P30530 1/20 0.47

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
SCHEMBL30579396 0.85 IRAK4 (0.53) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL9728912 0.84 HSD17B10 (0.52) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL10042194 0.82 HTT (0.58) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL309036 0.82 IRAK4 (0.58) IRAK4SMPD3HTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL31474423 0.80 IRAK4 (0.57) IRAK4SMPD3HTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30152392 0.80 IRAK4 (0.57) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL17848939 0.79 IRAK4 (0.46) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL17848875 0.79 ALDH1A1 (0.47) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL946897 0.79 IRAK4 (0.68) IRAK4SMPD3HTTSMN1; SMN2NPC1
SCHEMBL309358 0.79 HSD11B1 (0.57) IRAK4SMPD3HTTSMN1; SMN2NPC1

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
CN-114945378-B Feeder-based and feeder-free stem cell culture systems for stratified epithelial stem cells and related uses thereof 休斯敦大学体系 2024-11-19 CN disclosed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 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-20080221129-A1 New compounds SCD, SCD5, FASN IRAK4 1256/4885SMPD3 482/4885HTT 3278/4885

“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.