SCHEMBL21473641

SCHEMBL21473641

CCc1ccc(OCCN2CCN(C)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
LTA4H P09960 1/20 0.49
DRD2 P14416 4/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL1911862 0.83 MEN1 (0.53) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL2204177 0.82 MEN1 (0.52) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL15475020 0.82 ALDH1A1 (0.54) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL12311929 0.81 MEN1 (0.53) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL21475149 0.80 KDM4E (0.59) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL2205189 0.80 SIRT6 (0.58) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL14970728 0.78 LTA4H (0.53) KDM4EALDH1A1MEN1KMT2ALTA4H
Hydrochloric Acid SCHEMBL14966567 0.77 LTA4H (0.52) KDM4ELTA4H
SCHEMBL12311793 0.77 HRH3 (0.60) DRD3ALDH1A1SIGMAR1HRH3DRD2
SCHEMBL13634514 0.76 L3MBTL1 (0.47) KDM4EALDH1A1

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 DRD3 3329/4885KDM4E 3392/4885ALDH1A1 4117/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 DRD3 3329/4885KDM4E 3392/4885ALDH1A1 4117/4885

“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.