SCHEMBL21475151

SCHEMBL21475151

COc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 17/20 0.60
L3MBTL1 Q9Y468 15/20 0.60
MBTD1 Q05BQ5 6/20 0.59
TP53BP1 Q12888 2/20 0.59
L3MBTL4 Q8NA19 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL23997109 0.98 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL17146588 0.91 KDM4E (0.58) L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL21959470 0.90 L3MBTL3 (0.58) L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL20682537 0.90 KDM4E (0.54) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23997048 0.89 KDM4E (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL22040925 0.88 HPGD (0.65) L3MBTL1ALDH1A1
SCHEMBL21959468 0.86 KDM4E (0.55) L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL22040920 0.85 HPGD (0.61) L3MBTL1ALDH1A1
SCHEMBL20094151 0.84 L3MBTL3 (0.64) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL21958455 0.84 HSP90AA1 (0.51) L3MBTL3L3MBTL1KDM4EALDH1A1

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-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-08 US disclosed
US-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 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 (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-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS CAMK1, CAMKK2, DCLK2 L3MBTL3 3411/4885L3MBTL1 2821/4885MBTD1 2505/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 L3MBTL3 3411/4885L3MBTL1 2821/4885MBTD1 2505/4885

“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.