SCHEMBL25920538

SCHEMBL25920538

CC(C)(C)c1nccc(-n2ccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.51
CYP1A2 P05177 12/20 0.51
CYP2D6 P10635 12/20 0.51
CYP2C19 P33261 11/20 0.51
TDP1 Q9NUW8 8/20 0.51
HSD17B10 Q99714 6/20 0.51
ALOX15 P16050 6/20 0.51
MAPK1 P28482 6/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 5/20 0.49
CLK4 Q9HAZ1 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
APEX1 P27695 1/20 0.46
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.43

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
SCHEMBL9522386 0.75 CYP1A2 (0.54) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL7560816 0.74 CYP1A2 (0.53) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL30270572 0.74 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL8192197 0.74 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28030161 0.73 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL18356216 0.73 LOXL2 (0.54) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL30467904 0.73 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL27832682 0.71 CYP3A4 (0.49) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL27711846 0.71 CYP1A2 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL19667019 0.70 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19ALOX15

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-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 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-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 CYP3A4 4275/4885CYP1A2 4227/4885CYP2D6 3848/4885

“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.