SCHEMBL18934852

SCHEMBL18934852

CNC(=O)C1(N)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
DPP4 P27487 1/20 0.33
KHK P50053 1/20 0.33
CYP1A2 P05177 1/20 0.33
GHSR Q92847 1/20 0.32

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
SCHEMBL2060504 0.84
Hydrochloric Acid SCHEMBL19900778 0.81
SCHEMBL4121086 0.79 CYP3A4 (0.37) KDM4EKMT2ACYP1A2
SCHEMBL1515612 0.79
SCHEMBL18935464 0.78 KDM4E (0.40) KDM4EKMT2ADPP9DPP7DPP4
SCHEMBL18934853 0.78 CYP1A2 (0.47) KDM4EKMT2ADPP9DPP7DPP4
SCHEMBL4133242 0.77 CYP3A4 (0.40) KDM4EKMT2ACYP1A2
SCHEMBL21661391 0.76 KDM4E (0.35) KDM4EKMT2A
SCHEMBL719286 0.76 KDM4E (0.45) KDM4EKMT2AKHKCYP1A2
Hydrochloric Acid SCHEMBL28097210 0.76 CYP3A4 (0.39) CYP1A2

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
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS KDM4E 3955/4885KMT2A 3584/4885DPP9 4036/4885

“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.