SCHEMBL21259802

SCHEMBL21259802

CC/C(=N\SC(C)(C)C)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38

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
SCHEMBL9594023 0.77 CYP19A1 (0.49) KDM4ECYP19A1CYP3A4LMNACYP2C19
SCHEMBL14434843 0.77 CYP19A1 (0.49) KDM4ECYP19A1CYP3A4LMNACYP2C19
SCHEMBL30349552 0.76 ALDH1A1 (0.36) KDM4ECYP3A4LMNACYP1A2CYP11B1
SCHEMBL34462100 0.76 ALDH1A1 (0.36) KDM4ECYP3A4LMNACYP1A2CYP11B1
SCHEMBL9768781 0.76 CYP19A1 (0.47) KDM4ECYP19A1CYP3A4CYP2C19HTT
SCHEMBL21259814 0.74 ALDH1A1 (0.50) KDM4ECYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL20318601 0.74 CYP19A1 (0.40) KDM4ECYP19A1CYP3A4LMNACYP1A2
SCHEMBL9796175 0.71 HTT (0.45) KDM4ECYP3A4LMNACYP1A2CYP11B1
SCHEMBL9796173 0.71 HTT (0.45) KDM4ECYP3A4LMNACYP1A2CYP11B1
SCHEMBL9796180 0.70 KDM4E (0.55) KDM4ELMNAHTTSMN1; SMN2ALDH1A1

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-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 US disclosed
WO-2019156929-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2019-08-15 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-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 KDM4E 424/4885CYP19A1 553/4885CYP3A4 3041/4885

“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.