SCHEMBL17480248

SCHEMBL17480248

O=C1Cc2cc(-c3ccnn3-c3ccc(Cl)c(Cl)c3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ PGR P06401 4/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ GRIA1 P42261 5/20 0.43
▸ CACNG8 Q8WXS5 3/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ AOC2 O75106 1/20 0.40
▸ BCL6 P41182 1/20 0.39
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 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
SCHEMBL16137701 0.88 AHR (0.52) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16137693 0.84 AOC2 (0.53) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL17480247 0.84 PDE3B (0.51) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16047949 0.83 PDE3B (0.53) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16137561 0.83 PDE3B (0.64) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16090276 0.82 PGR (0.54) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16137692 0.81 GAA (0.49) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16137702 0.81 KIF11 (0.54) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL16137703 0.81 MAPK14 (0.53) PDE3BPDE3APGRCYP1A2CYP11B1
SCHEMBL17480249 0.79 PGR (0.51) PDE3BPDE3APGRCYP1A2CYP11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241569-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) 2019-08-08 — — US disclosed
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
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 (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-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K2, MAP3K1, MAP3K3 PDE3B 3911/4885PDE3A 4055/4885PGR 1534/4885
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 3315/4885PGR 702/4885

“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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