SCHEMBL20907943

SCHEMBL20907943

CCOc1ccc(N2CC3CN(C(=O)CCC#N)C[C@@H]2C(C)(C)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ACACB O00763 4/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL22567502 1.00 MEN1 (0.36) MEN1KMT2AACACBJAK2JAK1
SCHEMBL22567303 1.00 MEN1 (0.36) MEN1KMT2AACACBJAK2JAK1
SCHEMBL22555789 0.85 ACACB (0.37) MEN1KMT2AACACBTSHRGAA
SCHEMBL22567581 0.85 ACACB (0.37) MEN1KMT2AACACBTSHRGAA
SCHEMBL22567362 0.85 ACACB (0.37) MEN1KMT2AACACBTSHRGAA
Hydrochloric Acid SCHEMBL22555742 0.84 KMT2A (0.36) MEN1KMT2AACACBTSHRGAA
SCHEMBL21963786 0.84 TP53 (0.40) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL20898275 0.82 FKBP1A (0.38) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL20898311 0.81 KDM4E (0.35) JAK2JAK1ALDH1A1
SCHEMBL22567429 0.81 KDM4E (0.35) JAK2JAK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325915-B2 Lysyl oxidase inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-05-10 US disclosed
US-20200331922-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-22 US disclosed
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 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 (2 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-20200331922-A1 LYSYL OXIDASE INHIBITORS LOXL1, LOXL2, LOXL3 MEN1 4491/4885KMT2A 2125/4885ACACB 866/4885
US-11325915-B2 Lysyl oxidase inhibitors LOXL1, LOXL2, LOXL3 MEN1 4491/4885KMT2A 2125/4885ACACB 866/4885

“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.