SCHEMBL20723944

SCHEMBL20723944

Cc1cccc(NCc2ccc(CN)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HPGD P15428 1/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL21086600 0.88 MAPT (0.45) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL259701 0.85 MAPT (0.65) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL21241028 0.83 MAPT (0.64) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL21722571 0.81 MAPT (0.65) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL27881777 0.79 MAPT (0.67) MAPTHTTHPGDRAB9ANPC1
SCHEMBL9558376 0.79 PLK1 (0.52) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL22450067 0.79 MAPT (0.69) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL1680443 0.79 CYP1A2 (0.58) HTTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14950718 0.79 HPGD (0.59) MAPTHPGDALDH1A1LMNAMEN1
SCHEMBL20997736 0.78 INSR (0.55) MAPTHTTCYP1A2CYP3A4CYP2D6

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-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2019-02-12 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-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, CCNB2 MAPT 692/4885HTT 2394/4885CYP1A2 4585/4885

“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.