SCHEMBL23318237

SCHEMBL23318237

CC(C)c1cn(Cc2ccncc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.40
CYP19A1 P11511 5/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 3/20 0.37
EPHB4 P54760 2/20 0.37
NOTUM Q6P988 1/20 0.37
CDC25C P30307 1/20 0.37
TEK Q02763 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP11B1 P15538 1/20 0.36
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL12229080 0.85 CYP19A1 (0.56) CYP19A1NPC1RAB9ASIGMAR1HRH4
SCHEMBL18925230 0.83 NOTUM (0.55) ESRRGCYP19A1NPC1RAB9AMEN1
SCHEMBL10094368 0.81 GUSB (0.52) KDREPHB4TEKCYP11B1
SCHEMBL12194478 0.81 MEN1 (0.56) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL10094367 0.80 HSP90AA1 (0.57) ESRRGNPC1RAB9AMEN1KMT2A
SCHEMBL10094376 0.80 HSP90AB1 (0.57) ESRRGCYP19A1NPC1RAB9AMEN1
SCHEMBL23386948 0.78 CYP19A1 (0.60) CYP19A1
SCHEMBL10094377 0.75 HSP90AB1 (0.62) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL10094375 0.75 HPGD (0.54) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL10094370 0.75 SIGMAR1 (0.50) ESRRGMEN1KMT2ASIGMAR1

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-20230145782-A1 p53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 US disclosed
WO-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 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-20230145782-A1 p53 MODULATORS AND USES THEREOF TP53, TP53BP1, MDM2 ESRRG 2144/4885CYP19A1 1690/4885NPC1 3540/4885

“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.