SCHEMBL24676784

SCHEMBL24676784

Cn1c(=O)cc(N[C@H]2CC[C@H](NCC(C)(F)F)CC2)c2cc(-n3ccnc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 11/20 0.45
CNR1 P21554 2/20 0.40
KCNH2 Q12809 3/20 0.38
MCHR1 Q99705 3/20 0.38
BCL6 P41182 2/20 0.38
CNR2 P34972 1/20 0.37
KAT2B Q92831 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL29769799 1.00 CD38 (0.45) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL24677011 0.94 CD38 (0.45) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL29769786 0.94 CD38 (0.45) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL29769794 0.85 CD38 (0.49) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL24676146 0.85 CD38 (0.49) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL29769796 0.84 CD38 (0.47) CD38CNR1KCNH2MCHR1BCL6
Hydrochloric Acid SCHEMBL29769798 0.83 CD38 (0.46) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL24676743 0.81 CD38 (0.47) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL29769775 0.81 CD38 (0.47) CD38CNR1KCNH2MCHR1BCL6
SCHEMBL30833277 0.81 CD38 (0.45) CD38BCL6GPR119

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-20220242862-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-08-04 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-20220242862-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 CD38, NQO2, NQO1 CD38 1/4885CNR1 1506/4885KCNH2 2556/4885

“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.