SCHEMBL22649136

SCHEMBL22649136

O=C(O)Cc1ccc(Nc2ccnc(-c3cccc(Cl)c3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.57
PDE4D Q08499 4/20 0.54
NR1H4 Q96RI1 2/20 0.54
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.49
PLK1 P53350 1/20 0.47
KMO O15229 2/20 0.46
TGFBR1 P36897 1/20 0.46
FFAR1 O14842 1/20 0.45
SYK P43405 1/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL15947841 0.90 PDE4B (0.57) PDE4BPDE4DCYP3A4CYP2C19CNR1
Hydrochloric Acid SCHEMBL15660264 0.89 PDE4B (0.56) PDE4BPDE4DCYP3A4CYP2C19CNR1
SCHEMBL15948056 0.83 PDE4B (0.55) PDE4BCNR1PLK1TGFBR1
Hydrochloric Acid SCHEMBL15659111 0.82 PDE4B (0.54) PDE4BCNR1PLK1TGFBR1
SCHEMBL539095 0.75 PDE4B (0.54) PDE4BPDE4DNR1H4CYP3A4CYP2C19
SCHEMBL4201881 0.74 ABCC4 (0.67) PDE4BPDE4DNR1H4CYP3A4CYP2C19
SCHEMBL15661342 0.73 PDE4B (0.63) PDE4BPDE4DNR1H4CYP3A4CYP2C19
SCHEMBL15658015 0.73 PDE4B (1.00) PDE4BPDE4DNR1H4CYP3A4CYP2C19
SCHEMBL26341803 0.72 PDE4B (0.61) PDE4BPDE4DCYP3A4CYP2C19
SCHEMBL15661353 0.72 PDE4B (0.60) PDE4BPDE4DCYP3A4CYP2C19

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-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2020-11-12 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-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885NR1H4 341/4885

“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.