SCHEMBL23636205

SCHEMBL23636205

O=C(C1=c2ccccc2=NCC1)c1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KMT2A Q03164 2/20 0.32
NAPRT Q6XQN6 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL23636204 0.79 RAB9A (0.40) KMT2ALMNAL3MBTL1
SCHEMBL26304663 0.77 L3MBTL1 (0.33) KMT2AL3MBTL1
SCHEMBL10373456 0.64 P2RX7 (0.52) CTNNB1WNT3AKMT2ANAPRTCES2
SCHEMBL6633592 0.64 NPSR1 (0.35) KMT2ANAPRTCES2CES1LMNA
SCHEMBL12462284 0.63 NOS3 (0.35) KMT2A
SCHEMBL27938851 0.62 MEN1 (0.30) KMT2ALMNA
SCHEMBL19675348 0.62 ALDH1A1 (0.32) KMT2AL3MBTL1
SCHEMBL2890937 0.62 KMT2A (0.63) CTNNB1WNT3AKMT2ANAPRTCES2
SCHEMBL24977120 0.60 KMT2A (0.67) KMT2ANAPRTCES2CES1LMNA
SCHEMBL22406366 0.58 LIG1 (0.52) KMT2ANAPRTLMNA

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-11066421-B1 Synthetic cinchona alkaloids against cancer Ares Pharmaceuticals, LLC (US) 2021-07-20 US claimed
US-11066421-B1 Synthetic cinchona alkaloids against cancer Ares Pharmaceuticals, LLC (US) 2021-07-20 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-11066421-B1 Synthetic cinchona alkaloids against cancer UACA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GDA CTNNB1 3840/4885WNT3A 3595/4885KMT2A 197/4885

“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.