SCHEMBL17480250

SCHEMBL17480250

O=C1Cc2cc(-c3cnn(-c4ccc(N[SH](=O)=O)cc4)c3)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ PGR P06401 4/20 0.41
▸ BCL6 P41182 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ GRIA1 P42261 3/20 0.39
▸ CACNG8 Q8WXS5 2/20 0.39
▸ AOC2 O75106 1/20 0.39
▸ CRBN Q96SW2 1/20 0.38

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
SCHEMBL16090273 0.83 CYP1A2 (0.54) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137726 0.80 PDE3B (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137651 0.75 CYP1A2 (0.56) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137656 0.73 PGR (0.52) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137704 0.73 CYP1A2 (0.56) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16090375 0.73 CYP1A2 (0.53) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137655 0.72 PDE3B (0.57) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137427 0.72 PDE3B (0.51) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137654 0.72 PDE3B (0.51) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16090294 0.66 PDE3B (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 — — 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-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K19, MAP3K2, MAP3K3 PDE3B 2794/4885PDE3A 3315/4885CYP1A2 1064/4885

“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.

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