SCHEMBL23720127

SCHEMBL23720127

CNC(=N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 6/20 0.57
GAA P10253 4/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
IDO1 P14902 1/20 0.54
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
XBP1 P17861 1/20 0.51
IDH2 P48735 1/20 0.50

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
SCHEMBL2288364 0.90 MAPT (0.64) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL8397788 0.85 HDAC8 (0.51) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL6728267 0.84 MEN1 (0.63) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL4100624 0.81 ALDH1A1 (0.55) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL6719698 0.80 MAPT (0.59) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL6719714 0.80 SMN1; SMN2 (0.54) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL6724467 0.80 PTGER3 (0.55) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL7345992 0.80 MAPT (0.59) L3MBTL1MAPTGAAALDH1A1NPSR1
SCHEMBL2632866 0.80 MAPT (0.73) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12412637 0.80 ALDH1A1 (0.76) L3MBTL1MAPTGAAALDH1A1NPSR1

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-11135222-B2 Aurora kinase inhibitors THE REGENTS OF THE UNIVERSIITY OF CALIFORNIA (US) 2021-10-05 US disclosed
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 EP 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-11135222-B2 Aurora kinase inhibitors AURKC, AURKA, AURKB L3MBTL1 1391/4885MAPT 1233/4885GAA 3732/4885

“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.