SCHEMBL19230477

SCHEMBL19230477

Cc1cccc(-c2nc3c(C)c(C)c(C)cc3[nH]2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.47
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
METAP2 P50579 2/20 0.41
METAP1 P53582 1/20 0.41
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
ESR1 P03372 1/20 0.38
RPS6KA3 P51812 1/20 0.38
GAA P10253 7/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
UBE2N P61088 1/20 0.38
KMT2A Q03164 1/20 0.38
MGAM O43451 6/20 0.38
SI P14410 6/20 0.38
MGAM2 Q2M2H8 6/20 0.38
TGFBR1 P36897 1/20 0.37

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
SCHEMBL124235 0.72 CBFB (0.68) CBFBCCR1CCR8ADORA3ADORA1
SCHEMBL29484635 0.71 NPC1 (0.60) CCR1CCR8METAP2METAP1ADORA3
SCHEMBL11570157 0.71 NPC1 (0.60) CCR1CCR8METAP2METAP1ADORA3
SCHEMBL34717 0.71 NPC1 (0.49) CBFBCCR1CCR8METAP2METAP1
SCHEMBL21976942 0.71 METAP2 (0.67) CBFBMETAP2METAP1GAAMEN1
SCHEMBL2578465 0.70 CBFB (0.73) CBFBADORA3ADORA1ADORA2AESR1
SCHEMBL13286842 0.70 NPC1 (0.48) CBFBCCR1CCR8METAP2METAP1
SCHEMBL17525993 0.69 CBFB (0.51) CBFBCCR1CCR8GAAMGAM
SCHEMBL13135757 0.69 HTT (0.50) ADORA3MEN1POLBKMT2A
SCHEMBL6805347 0.69 PARP1 (0.63)

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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 CBFB 2/4885CCR1 874/4885CCR8 1744/4885

“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.