SCHEMBL21473640

SCHEMBL21473640

COc1cc(C(=O)NC2CCN(C)CC2)ccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
CNR2 P34972 1/20 0.53
IGF1R P08069 3/20 0.51
MCHR1 Q99705 2/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
BRD4 O60885 2/20 0.50
PLK1 P53350 2/20 0.50
LRRK2 Q5S007 1/20 0.50
BRDT Q58F21 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL16972143 0.85 PTPN7 (0.56) MCHR1AURKAAURKBBRD4LRRK2
SCHEMBL9964598 0.84 BRD4 (0.55) CNR2IGF1RMCHR1AURKAAURKB
SCHEMBL15082471 0.83 AURKA (0.57) PTK2IGF1RAURKAAURKBBRD4
SCHEMBL738237 0.83 HTR4 (0.53) PTK2MCHR1AURKAAURKBBRD4
SCHEMBL410671 0.83 AURKA (0.52) PTK2IGF1RMCHR1AURKAAURKB
SCHEMBL22280231 0.81 LRRK2 (0.55) PTK2IGF1RHTR7AURKAAURKB
SCHEMBL19651825 0.80 KMT2A (0.56) CNR2CYP2D6CYP2C9
SCHEMBL19651858 0.80 CYP2D6 (0.57) CNR2MCHR1CYP2D6CYP2C9
SCHEMBL13880647 0.80 AURKA (0.52) PTK2MCHR1AURKAAURKBBRD4
SCHEMBL19651836 0.80 MAPK14 (0.53) CNR2MCHR1CYP2D6CYP2C9

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 PTK2 270/4885CNR2 1556/4885IGF1R 2798/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 PTK2 270/4885CNR2 1556/4885IGF1R 2798/4885

“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.