SCHEMBL12337139

SCHEMBL12337139

COc1cc(/C(=N/CC#N)c2csc(-c3ccccc3)n2)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.65
ECE1 P42892 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
ROCK2 O75116 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
SCHEMBL725032 0.86 EGFR (0.86) EGFRECE1MEN1NPC1MAPT
SCHEMBL725033 0.86 EGFR (0.86) EGFRECE1MEN1NPC1MAPT
SCHEMBL786637 0.80 EGFR (0.60) EGFRECE1MEN1NPC1MAPT
SCHEMBL723720 0.79 EGFR (1.00) EGFRECE1MEN1NPC1MAPT
SCHEMBL723721 0.79 EGFR (1.00) EGFRECE1MEN1NPC1MAPT
SCHEMBL804647 0.76 EGFR (0.55) EGFRECE1MEN1NPC1MAPT
SCHEMBL786706 0.76 ALDH1A1 (0.57) EGFRECE1ALDH1A1HDAC1HDAC8
SCHEMBL722468 0.76 EGFR (0.76) EGFRECE1MEN1NPC1MAPT
SCHEMBL786796 0.76 EGFR (0.76) EGFRECE1HDAC1HDAC8HDAC6
SCHEMBL724051 0.76 EGFR (0.76) EGFRECE1MEN1NPC1MAPT

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-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 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-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ECE1 1668/4885MEN1 165/4885

“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.