SCHEMBL19300087

SCHEMBL19300087

Cc1cc2c(cn1)NC(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
AHR P35869 4/20 0.44
GRIA1 P42261 2/20 0.44
CACNG8 Q8WXS5 2/20 0.44
SMYD3 Q9H7B4 1/20 0.44
CRBN Q96SW2 1/20 0.42
BCL6 P41182 1/20 0.42
PDK2 Q15119 1/20 0.41
CMA1 P23946 2/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
EIF2AK2 P19525 1/20 0.40
POLQ O75417 1/20 0.39

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
SCHEMBL19153946 0.85 AHR (0.44) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL14494371 0.84 CYP11B1 (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL25300707 0.81 AHR (0.49) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL15339321 0.78 SMYD3 (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL8653630 0.78 AHR (0.53) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL24192505 0.78 SMYD3 (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL29435574 0.78 AHR (0.53) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL19300089 0.77 SMYD3 (0.41) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL19300088 0.77 SMYD3 (0.41) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL21826365 0.76 PDE3B (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2

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-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 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-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PDE3B 1206/4885PDE3A 907/4885CYP1A2 3400/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 PDE3B 633/4885PDE3A 440/4885CYP1A2 4274/4885

“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.