SCHEMBL24590318

SCHEMBL24590318

C[C@@H]1CN(c2ccc(NC(C)(C)C)cn2)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ SMO Q99835 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ GPR183 P32249 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ BCL6 P41182 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ AOC3 Q16853 2/20 0.38
▸ GAK O14976 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36

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
SCHEMBL13105214 0.84 KMT2A (0.49) KMT2ASMOPGRGPR183BTK
SCHEMBL24590137 0.80 KMT2A (0.46) KMT2ASMOPGRGPR183BTK
SCHEMBL24590334 0.80 KMT2A (0.46) KMT2ASMOPGRGPR183BTK
SCHEMBL19001098 0.78 KMT2A (0.49) KMT2ASMOPGRGPR183MAPT
SCHEMBL14349536 0.78 KMT2A (0.49) KMT2ASMOPGRGPR183MAPT
SCHEMBL13658045 0.78 KMT2A (0.49) KMT2ASMOPGRGPR183MAPT
SCHEMBL12139652 0.78 KMT2A (0.49) KMT2ASMOPGRGPR183MAPT
SCHEMBL23019809 0.77 KMT2A (0.51) KMT2ASMOPGRGPR183MAPT
SCHEMBL20004006 0.77 KMT2A (0.51) KMT2ASMOPGRGPR183MAPT
SCHEMBL8254604 0.77 TRPV1 (0.46) KMT2AMAPTKDM4EALDH1A1RAB9A

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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 — — 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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 KMT2A 1721/4885SMO 3350/4885PGR 3615/4885

“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.

Send feedback