SCHEMBL18040264

SCHEMBL18040264

O=S(=O)(O)Oc1ccc2ccc3c4ccccc4cc4ccc1c2c43

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ AHR P35869 1/20 0.56
▸ FABP1 P07148 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ CTRC Q99895 1/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ CHEK1 O14757 1/20 0.34

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
SCHEMBL2522034 0.84 FABP1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5720268 0.81 FABP1 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12486529 0.76 CYP1A2 (0.59) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6264675 0.75 CYP1A2 (0.87) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29746490 0.75 CYP1A2 (0.86) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1096241 0.75 CYP1A2 (0.86) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1288207 0.75 CYP1A2 (0.86) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30122951 0.75 CYP1A2 (0.86) CYP1A2ERBB2FYNMAOAACHE
Phosphine SCHEMBL3821605 0.75 FABP1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL27494241 0.74 FABP1 (0.48) CYP1A2FABP1SLC22A6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975079-B2 4-amino-3-phenylamino-6-phenylpyrazolo[3,4-d]pyrimidine derivatives for use as BCRP inhibitors in therapeutic treatments SCANDION ONCOLOGY A/S (DK) 2021-04-13 — — US disclosed
US-20180044341-A1 4-AMINO-3-PHENYLAMINO-6-PHENYLPYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES FOR USE AS BCRP INHIBITORS IN THERAPEUTIC TREATMENTS DRITTE PATENTPORTFOLIO BETEILIGUNGS-GESELLSCHAFT MBH & CO. KG (DE) 2018-02-15 — — US disclosed
EP-3064207-B1 4-amino-3-phenylamino-6-phenylpyrazolo[3,4-d]pyrimidine derivatives for use as BCRP inhibitors in therapeutic treatments SCANDION ONCOLOGY AS (DK) 2017-12-20 — — EP disclosed
EP-3064207-A1 4-amino-3-phenylamino-6-phenylpyrazolo[3,4-d]pyrimidine derivatives for use as BCRP inhibitors in therapeutic treatments Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co. KG (DE) 2016-09-07 — — EP 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-20180044341-A1 4-AMINO-3-PHENYLAMINO-6-PHENYLPYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES FOR USE AS BCRP INHIBITORS IN THERAPEUTIC TREATMENTS ABCB1, ABCC1, MPHOSPH6 CYP1A2 1108/4885ERBB2 1905/4885FYN 2823/4885
US-10975079-B2 4-amino-3-phenylamino-6-phenylpyrazolo[3,4-d]pyrimidine derivatives for use as BCRP inhibitors in therapeutic treatments ABCB1, ABCC1, MPHOSPH6 CYP1A2 1108/4885ERBB2 1905/4885FYN 2823/4885

“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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