SCHEMBL20148780

SCHEMBL20148780

CC(C)C(O)(c1cccnc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.50
CYP3A4 P08684 3/20 0.49
KCNH2 Q12809 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.40
CYP3A5 P20815 1/20 0.39

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
SCHEMBL16132367 0.85 SMN1; SMN2 (0.52) CYP3A4KCNH2SMN1; SMN2L3MBTL1CYP17A1
SCHEMBL20148789 0.84 CYP3A4 (0.62) KCNA5CYP3A4KCNH2CYP19A1CYP3A5
SCHEMBL11624747 0.82 KCNA5 (0.61) KCNA5CYP3A4KCNH2CYP17A1
SCHEMBL16132316 0.82 SMN1; SMN2 (0.59) CYP3A4KCNH2SMN1; SMN2L3MBTL1CYP17A1
SCHEMBL20148788 0.81 SMN1; SMN2 (0.47) KCNA5CYP3A4KCNH2SMN1; SMN2L3MBTL1
SCHEMBL16259200 0.80 SMN1; SMN2 (0.48) KCNA5CYP3A4SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL20148779 0.77 SMN1; SMN2 (0.53) CYP3A4KCNH2SMN1; SMN2L3MBTL1CYP17A1
SCHEMBL11680136 0.77 AHR (0.57) CYP3A4SMN1; SMN2L3MBTL1CYP17A1CYP3A5
SCHEMBL16230666 0.77 SMN1; SMN2 (0.46) KCNA5CYP3A4SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL11626609 0.75 CYP3A4 (0.58) KCNA5CYP3A4KCNH2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 KCNA5 4495/4885CYP3A4 4630/4885KCNH2 4362/4885

“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.