SCHEMBL18637259

SCHEMBL18637259

CCc1nccc2nc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.36
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.34
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
TERT O14746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19155894 0.79 PDE3B (0.43) PDE3BPDE3APOLBRAD52SMN1; SMN2
SCHEMBL10078327 0.78 CYP2A6 (0.47) PDE3BPDE3AALDH1A1CYP1A2POLB
SCHEMBL7510548 0.74 NOS3 (0.44) ALDH1A1CYP1A2POLBGAAKDM4E
SCHEMBL30505983 0.74 LMNA (0.43) ALDH1A1CYP1A2POLBSMN1; SMN2KDM4E
SCHEMBL34466619 0.74 MAPT (0.52) PDE3BPDE3ASMN1; SMN2GRM4KDM4E
SCHEMBL12983661 0.74 MAPT (0.52) PDE3BPDE3ASMN1; SMN2GRM4KDM4E
SCHEMBL24656745 0.72 ALDH1A1 (0.37) ALDH1A1CYP1A2POLBALOX15GRM4
SCHEMBL15268029 0.72 CYP1A2 (0.41) ALDH1A1CYP1A2SMN1; SMN2ALOX15KDM4E
SCHEMBL25952898 0.72 PDE3B (0.44) PDE3BPDE3AGRM4
SCHEMBL8571925 0.71 ALDH1A1 (0.53) ALDH1A1CYP1A2POLBGAAALOX15

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-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX, INC. (CN) 2017-03-16 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-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof WNT1, WNT3A, SFRP1 PDE3B 2167/4885PDE3A 3229/4885PDE10A 2331/4885

“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.