SCHEMBL16090375

SCHEMBL16090375

O=C1Cc2cc(-c3cnn(-c4ccccn4)c3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ CYP11B1 P15538 2/20 0.53
▸ CYP11B2 P19099 2/20 0.53
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ GRM5 P41594 1/20 0.49
▸ PGR P06401 3/20 0.46
▸ GRIA1 P42261 5/20 0.45
▸ CACNG8 Q8WXS5 2/20 0.45
▸ BMPR1B O00238 1/20 0.45
▸ BMPR1A P36894 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ ACVRL1 P37023 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ ALKBH2 Q6NS38 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ GRM4 Q14833 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ PDE4A P27815 1/20 0.41

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
SCHEMBL16137651 0.87 CYP1A2 (0.56) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137704 0.86 CYP1A2 (0.56) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137655 0.85 PDE3B (0.57) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16090273 0.83 CYP1A2 (0.54) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137654 0.81 PDE3B (0.51) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137656 0.80 PGR (0.52) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137427 0.79 PDE3B (0.51) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL16137709 0.78 PDE3B (0.50) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL5768340 0.75 PDE3B (0.61) CYP1A2CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL5669713 0.75 GRM5 (0.71) GRM5ALKBH2EGLN1GRM4MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL INC (US) 2019-08-08 — — US disclosed
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-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2016-03-17 — — 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
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 — — US disclosed
US-9227962-B2 Heterocyclic substituted-3-heteroarylidenyl-2-indolinone derivative BOSTON BIOMEDICAL, INC. (US) 2016-01-05 — — US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
WO-2014160401-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) 2014-10-02 — — WO disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 — — 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 (6 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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 CYP1A2 4725/4885CYP11B1 3919/4885CYP11B2 4281/4885
US-20160075697-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B CYP1A2 107/4885CYP11B1 67/4885CYP11B2 80/4885
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B CYP1A2 107/4885CYP11B1 67/4885CYP11B2 80/4885
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 CYP1A2 3650/4885CYP11B1 2681/4885CYP11B2 2874/4885
US-20190241550-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B CYP1A2 107/4885CYP11B1 67/4885CYP11B2 80/4885
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 CYP1A2 1064/4885CYP11B1 1557/4885CYP11B2 1543/4885

“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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